1-[[5-propyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol

C18H36N2O — CID 62614801

IUPAC1-[[5-propyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol
SMILESCCCNC1CCC(CCC)CC1CN1CCC(O)CC1
InChIInChI=1S/C18H36N2O/c1-3-5-15-6-7-18(19-10-4-2)16(13-15)14-20-11-8-17(21)9-12-20/h15-19,21H,3-14H2,1-2H3
InChIKeyMJEZJELVAWODTP-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.03
Rot. Bonds7

About 1-[[5-propyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol

1-[[5-propyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol (PubChem CID 62614801) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 1-[[5-propyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[5-propyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol
PubChem CID62614801
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name1-[[5-propyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol
SMILESCCCNC1CCC(CCC)CC1CN1CCC(O)CC1
InChIInChI=1S/C18H36N2O/c1-3-5-15-6-7-18(19-10-4-2)16(13-15)14-20-11-8-17(21)9-12-20/h15-19,21H,3-14H2,1-2H3
InChIKeyMJEZJELVAWODTP-UHFFFAOYSA-N
XLogP3.03
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-propyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine
CID 62616394
1-[[2-(ethylamino)-5-propylcyclohexyl]methyl]piperidin-3-ol
CID 62608959
4-ethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propylcyclohexan-1-amine
CID 62610497
2-(azepan-1-ylmethyl)-N-methyl-4-propylcyclohexan-1-amine
CID 62616400
2-[2-hydroxyethyl-[[5-propyl-2-(propylamino)cyclohexyl]methyl]amino]ethanol
CID 62610825
2-(2-ethylbutyl)-N,4-dipropylcyclohexan-1-amine
CID 82929498
4-methyl-2-(piperidin-1-ylmethyl)-N-propylcyclohexan-1-amine
CID 62614642
4-propyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol
CID 62611262
2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-4-propylcyclohexan-1-ol
CID 62610564
2-(2-propoxyethyl)-N,4-dipropylcyclohexan-1-amine
CID 106454487
2-[(4-methoxypiperidin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 62615391
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-ethyl-N-propylcyclohexan-1-amine
CID 115561892

Frequently Asked Questions

What is the IUPAC name of 1-[[5-propyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[5-propyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol (CID 62614801) is 1-[[5-propyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[5-propyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[5-propyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol is CCCNC1CCC(CCC)CC1CN1CCC(O)CC1.
What is the InChIKey of 1-[[5-propyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol?
The InChIKey is MJEZJELVAWODTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-3-5-15-6-7-18(19-10-4-2)16(13-15)14-20-11-8-17(21)9-12-20/h15-19,21H,3-14H2,1-2H3.
What are the key properties of 1-[[5-propyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol?
1-[[5-propyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol has a molecular weight of 296.50 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-propyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol is sourced from PubChem (CID 62614801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).