(2S)-2-methyl-4-propan-2-yl-1-(4-propan-2-ylcyclohexyl)piperazine

C17H34N2 — CID 176797151

IUPAC(2S)-2-methyl-4-propan-2-yl-1-(4-propan-2-ylcyclohexyl)piperazine
SMILESCC(C)C1CCC(N2CCN(C(C)C)C[C@@H]2C)CC1
InChIInChI=1S/C17H34N2/c1-13(2)16-6-8-17(9-7-16)19-11-10-18(14(3)4)12-15(19)5/h13-17H,6-12H2,1-5H3/t15-,16?,17?/m0/s1
InChIKeyQLYWTLABDPAYLM-GTPINHCMSA-N
MW266.47 g/mol
LogP3.62
Rot. Bonds3

About (2S)-2-methyl-4-propan-2-yl-1-(4-propan-2-ylcyclohexyl)piperazine

(2S)-2-methyl-4-propan-2-yl-1-(4-propan-2-ylcyclohexyl)piperazine (PubChem CID 176797151) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is (2S)-2-methyl-4-propan-2-yl-1-(4-propan-2-ylcyclohexyl)piperazine.

Molecular Properties

Compound Name(2S)-2-methyl-4-propan-2-yl-1-(4-propan-2-ylcyclohexyl)piperazine
PubChem CID176797151
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name(2S)-2-methyl-4-propan-2-yl-1-(4-propan-2-ylcyclohexyl)piperazine
SMILESCC(C)C1CCC(N2CCN(C(C)C)C[C@@H]2C)CC1
InChIInChI=1S/C17H34N2/c1-13(2)16-6-8-17(9-7-16)19-11-10-18(14(3)4)12-15(19)5/h13-17H,6-12H2,1-5H3/t15-,16?,17?/m0/s1
InChIKeyQLYWTLABDPAYLM-GTPINHCMSA-N
XLogP3.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-methyl-4-propan-2-yl-1-(1-propan-2-ylpiperidin-4-yl)piperazine
CID 169054191
[(3R)-3-methyl-4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]-(1-propan-2-ylazetidin-3-yl)methanone
CID 176796863
(2R)-2-methyl-4-(3-methylcyclobutyl)-1-(4-propan-2-ylcyclohexyl)piperazine
CID 177134539
ethane;1-propan-2-yl-4-(4-propan-2-ylcyclohexyl)piperazine
CID 171508742
3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;methane
CID 159832079
(2R,7R)-1,2,7-trimethyl-4-propan-2-yl-1,4-diazepane
CID 176748171
2,5-dimethyl-1-(4-propan-2-ylcyclohexyl)piperazine
CID 64979562
(2-methyl-4-propan-2-ylpiperazin-1-yl)methanethiol
CID 167106909
1,4-di(propan-2-yl)piperidine
CID 21303253
2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);methane
CID 159687749
[(3S)-3-(methoxymethyl)-4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]-[(3S)-1-propan-2-ylpyrrolidin-3-yl]methanone
CID 176796823
3,4-dimethyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine
CID 170616755

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-4-propan-2-yl-1-(4-propan-2-ylcyclohexyl)piperazine?
The IUPAC name of (2S)-2-methyl-4-propan-2-yl-1-(4-propan-2-ylcyclohexyl)piperazine (CID 176797151) is (2S)-2-methyl-4-propan-2-yl-1-(4-propan-2-ylcyclohexyl)piperazine.
What is the SMILES notation for (2S)-2-methyl-4-propan-2-yl-1-(4-propan-2-ylcyclohexyl)piperazine?
The canonical SMILES for (2S)-2-methyl-4-propan-2-yl-1-(4-propan-2-ylcyclohexyl)piperazine is CC(C)C1CCC(N2CCN(C(C)C)C[C@@H]2C)CC1.
What is the InChIKey of (2S)-2-methyl-4-propan-2-yl-1-(4-propan-2-ylcyclohexyl)piperazine?
The InChIKey is QLYWTLABDPAYLM-GTPINHCMSA-N. The full InChI is InChI=1S/C17H34N2/c1-13(2)16-6-8-17(9-7-16)19-11-10-18(14(3)4)12-15(19)5/h13-17H,6-12H2,1-5H3/t15-,16?,17?/m0/s1.
What are the key properties of (2S)-2-methyl-4-propan-2-yl-1-(4-propan-2-ylcyclohexyl)piperazine?
(2S)-2-methyl-4-propan-2-yl-1-(4-propan-2-ylcyclohexyl)piperazine has a molecular weight of 266.47 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-4-propan-2-yl-1-(4-propan-2-ylcyclohexyl)piperazine is sourced from PubChem (CID 176797151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).