4-(cyclohexylmethyl)-1-(3,3-dimethylbutyl)piperidine;1-(cyclohexylmethyl)-4-(2,2-dimethylpropyl)piperazine;bis(1-(cyclohexylmethyl)-4-propylpiperazine);ethane

C66H135N7 — CID 159159825

IUPAC4-(cyclohexylmethyl)-1-(3,3-dimethylbutyl)piperidine;1-(cyclohexylmethyl)-4-(2,2-dimethylpropyl)piperazine;bis(1-(cyclohexylmethyl)-4-propylpiperazine);ethane
SMILESCC.CC.CC(C)(C)CCN1CCC(CC2CCCCC2)CC1.CC(C)(C)CN1CCN(CC2CCCCC2)CC1.CCCN1CCN(CC2CCCCC2)CC1.CCCN1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C18H35N.C16H32N2.2C14H28N2.2C2H6/c1-18(2,3)11-14-19-12-9-17(10-13-19)15-16-7-5-4-6-8-16;1-16(2,3)14-18-11-9-17(10-12-18)13-15-7-5-4-6-8-15;2*1-2-8-15-9-11-16(12-10-15)13-14-6-4-3-5-7-14;2*1-2/h16-17H,4-15H2,1-3H3;15H,4-14H2,1-3H3;2*14H,2-13H2,1H3;2*1-2H3
InChIKeyKKISKBVITDMPNB-UHFFFAOYSA-N
MW1026.85 g/mol
LogP15.58
Rot. Bonds15

About 4-(cyclohexylmethyl)-1-(3,3-dimethylbutyl)piperidine;1-(cyclohexylmethyl)-4-(2,2-dimethylpropyl)piperazine;bis(1-(cyclohexylmethyl)-4-propylpiperazine);ethane

4-(cyclohexylmethyl)-1-(3,3-dimethylbutyl)piperidine;1-(cyclohexylmethyl)-4-(2,2-dimethylpropyl)piperazine;bis(1-(cyclohexylmethyl)-4-propylpiperazine);ethane (PubChem CID 159159825) has the molecular formula C66H135N7 and a molecular weight of 1026.85 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-1-(3,3-dimethylbutyl)piperidine;1-(cyclohexylmethyl)-4-(2,2-dimethylpropyl)piperazine;bis(1-(cyclohexylmethyl)-4-propylpiperazine);ethane.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-1-(3,3-dimethylbutyl)piperidine;1-(cyclohexylmethyl)-4-(2,2-dimethylpropyl)piperazine;bis(1-(cyclohexylmethyl)-4-propylpiperazine);ethane
PubChem CID159159825
Molecular FormulaC66H135N7
Molecular Weight1026.85 g/mol
Exact Mass1026.08
IUPAC Name4-(cyclohexylmethyl)-1-(3,3-dimethylbutyl)piperidine;1-(cyclohexylmethyl)-4-(2,2-dimethylpropyl)piperazine;bis(1-(cyclohexylmethyl)-4-propylpiperazine);ethane
SMILESCC.CC.CC(C)(C)CCN1CCC(CC2CCCCC2)CC1.CC(C)(C)CN1CCN(CC2CCCCC2)CC1.CCCN1CCN(CC2CCCCC2)CC1.CCCN1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C18H35N.C16H32N2.2C14H28N2.2C2H6/c1-18(2,3)11-14-19-12-9-17(10-13-19)15-16-7-5-4-6-8-16;1-16(2,3)14-18-11-9-17(10-12-18)13-15-7-5-4-6-8-15;2*1-2-8-15-9-11-16(12-10-15)13-14-6-4-3-5-7-14;2*1-2/h16-17H,4-15H2,1-3H3;15H,4-14H2,1-3H3;2*14H,2-13H2,1H3;2*1-2H3
InChIKeyKKISKBVITDMPNB-UHFFFAOYSA-N
XLogP15.58
TPSA22.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001026.85
LogP ≤ 515.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Piperazine, 4-(1-adamantylmethyl)-1-butyl-
CID 64560
Piperazine, 4-(1-adamantylmethyl)-1-isobutyl-
CID 64565
Piperazine, 4-(1-adamantylmethyl)-1-isopentyl-
CID 64566
Piperazine, 4-(1-adamantylmethyl)-1-pentyl-
CID 64569
Piperazine, 4-(1-adamantylmethyl)-1-propyl-
CID 64570
5,18,25,38-Tetrazanonacyclo[36.2.2.22,5.218,21.222,25.07,12.011,16.027,32.031,36]octatetracontane
CID 58298257
7,14,25,32-Tetrazanonacyclo[32.2.2.22,5.27,10.211,14.216,19.220,23.225,28.229,32]dopentacontane
CID 58298263
5,21,28,44-Tetrazaundecacyclo[42.2.2.22,5.27,10.216,19.221,24.225,28.230,33.239,42.111,15.134,38]tetrahexacontane
CID 58298277
1-Methyl-4-[3,5,7-tris(1-methylpiperidin-4-yl)-1-adamantyl]piperidine
CID 60060475
1,4,8,11-Tetrakis(2-piperidin-1-ylethyl)-azacyclotetradecane
CID 70010037
1-[2-(4-Methylpiperidin-1-yl)ethyl]-4-[2-[1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-4-yl]ethyl]piperidine
CID 135179535
1-Methyl-4-[[4-[2-[4-[2-[4-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]piperidin-1-yl]ethyl]piperidin-1-yl]ethyl]piperidin-1-yl]methyl]piperidine
CID 135279336

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-1-(3,3-dimethylbutyl)piperidine;1-(cyclohexylmethyl)-4-(2,2-dimethylpropyl)piperazine;bis(1-(cyclohexylmethyl)-4-propylpiperazine);ethane?
The IUPAC name of 4-(cyclohexylmethyl)-1-(3,3-dimethylbutyl)piperidine;1-(cyclohexylmethyl)-4-(2,2-dimethylpropyl)piperazine;bis(1-(cyclohexylmethyl)-4-propylpiperazine);ethane (CID 159159825) is 4-(cyclohexylmethyl)-1-(3,3-dimethylbutyl)piperidine;1-(cyclohexylmethyl)-4-(2,2-dimethylpropyl)piperazine;bis(1-(cyclohexylmethyl)-4-propylpiperazine);ethane.
What is the SMILES notation for 4-(cyclohexylmethyl)-1-(3,3-dimethylbutyl)piperidine;1-(cyclohexylmethyl)-4-(2,2-dimethylpropyl)piperazine;bis(1-(cyclohexylmethyl)-4-propylpiperazine);ethane?
The canonical SMILES for 4-(cyclohexylmethyl)-1-(3,3-dimethylbutyl)piperidine;1-(cyclohexylmethyl)-4-(2,2-dimethylpropyl)piperazine;bis(1-(cyclohexylmethyl)-4-propylpiperazine);ethane is CC.CC.CC(C)(C)CCN1CCC(CC2CCCCC2)CC1.CC(C)(C)CN1CCN(CC2CCCCC2)CC1.CCCN1CCN(CC2CCCCC2)CC1.CCCN1CCN(CC2CCCCC2)CC1.
What is the InChIKey of 4-(cyclohexylmethyl)-1-(3,3-dimethylbutyl)piperidine;1-(cyclohexylmethyl)-4-(2,2-dimethylpropyl)piperazine;bis(1-(cyclohexylmethyl)-4-propylpiperazine);ethane?
The InChIKey is KKISKBVITDMPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N.C16H32N2.2C14H28N2.2C2H6/c1-18(2,3)11-14-19-12-9-17(10-13-19)15-16-7-5-4-6-8-16;1-16(2,3)14-18-11-9-17(10-12-18)13-15-7-5-4-6-8-15;2*1-2-8-15-9-11-16(12-10-15)13-14-6-4-3-5-7-14;2*1-2/h16-17H,4-15H2,1-3H3;15H,4-14H2,1-3H3;2*14H,2-13H2,1H3;2*1-2H3.
What are the key properties of 4-(cyclohexylmethyl)-1-(3,3-dimethylbutyl)piperidine;1-(cyclohexylmethyl)-4-(2,2-dimethylpropyl)piperazine;bis(1-(cyclohexylmethyl)-4-propylpiperazine);ethane?
4-(cyclohexylmethyl)-1-(3,3-dimethylbutyl)piperidine;1-(cyclohexylmethyl)-4-(2,2-dimethylpropyl)piperazine;bis(1-(cyclohexylmethyl)-4-propylpiperazine);ethane has a molecular weight of 1026.85 g/mol, XLogP of 15.58, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-1-(3,3-dimethylbutyl)piperidine;1-(cyclohexylmethyl)-4-(2,2-dimethylpropyl)piperazine;bis(1-(cyclohexylmethyl)-4-propylpiperazine);ethane is sourced from PubChem (CID 159159825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).