2-methyl-2-(propylamino)-6-(4-propylpiperidin-1-yl)hexan-1-ol

C18H38N2O — CID 64786450

IUPAC2-methyl-2-(propylamino)-6-(4-propylpiperidin-1-yl)hexan-1-ol
SMILESCCCNC(C)(CO)CCCCN1CCC(CCC)CC1
InChIInChI=1S/C18H38N2O/c1-4-8-17-9-14-20(15-10-17)13-7-6-11-18(3,16-21)19-12-5-2/h17,19,21H,4-16H2,1-3H3
InChIKeyNOORGDPTNMXABW-UHFFFAOYSA-N
MW298.52 g/mol
LogP3.42
Rot. Bonds11

About 2-methyl-2-(propylamino)-6-(4-propylpiperidin-1-yl)hexan-1-ol

2-methyl-2-(propylamino)-6-(4-propylpiperidin-1-yl)hexan-1-ol (PubChem CID 64786450) has the molecular formula C18H38N2O and a molecular weight of 298.52 g/mol. Its IUPAC name is 2-methyl-2-(propylamino)-6-(4-propylpiperidin-1-yl)hexan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(propylamino)-6-(4-propylpiperidin-1-yl)hexan-1-ol
PubChem CID64786450
Molecular FormulaC18H38N2O
Molecular Weight298.52 g/mol
Exact Mass298.30
IUPAC Name2-methyl-2-(propylamino)-6-(4-propylpiperidin-1-yl)hexan-1-ol
SMILESCCCNC(C)(CO)CCCCN1CCC(CCC)CC1
InChIInChI=1S/C18H38N2O/c1-4-8-17-9-14-20(15-10-17)13-7-6-11-18(3,16-21)19-12-5-2/h17,19,21H,4-16H2,1-3H3
InChIKeyNOORGDPTNMXABW-UHFFFAOYSA-N
XLogP3.42
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.52
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-(methylamino)-5-(4-propylpiperidin-1-yl)pentan-1-ol
CID 64786842
6-(3-ethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol
CID 64795564
6-(3,5-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol
CID 64796258
6-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(ethylamino)-2-methylhexan-1-ol
CID 64825533
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methyl-2-(propylamino)hexan-1-ol
CID 79935464
6-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol
CID 102968939
5-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propylamino)pentan-1-ol
CID 65286793
6-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(propylamino)hexan-1-ol
CID 64789156
6-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol
CID 64789152
2-methyl-4-(3-methylpyrrolidin-1-yl)-2-(propylamino)butan-1-ol
CID 64825876
5-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(propylamino)pentan-1-ol
CID 103540839
2-methyl-6-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)hexan-1-ol
CID 64791476

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propylamino)-6-(4-propylpiperidin-1-yl)hexan-1-ol?
The IUPAC name of 2-methyl-2-(propylamino)-6-(4-propylpiperidin-1-yl)hexan-1-ol (CID 64786450) is 2-methyl-2-(propylamino)-6-(4-propylpiperidin-1-yl)hexan-1-ol.
What is the SMILES notation for 2-methyl-2-(propylamino)-6-(4-propylpiperidin-1-yl)hexan-1-ol?
The canonical SMILES for 2-methyl-2-(propylamino)-6-(4-propylpiperidin-1-yl)hexan-1-ol is CCCNC(C)(CO)CCCCN1CCC(CCC)CC1.
What is the InChIKey of 2-methyl-2-(propylamino)-6-(4-propylpiperidin-1-yl)hexan-1-ol?
The InChIKey is NOORGDPTNMXABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O/c1-4-8-17-9-14-20(15-10-17)13-7-6-11-18(3,16-21)19-12-5-2/h17,19,21H,4-16H2,1-3H3.
What are the key properties of 2-methyl-2-(propylamino)-6-(4-propylpiperidin-1-yl)hexan-1-ol?
2-methyl-2-(propylamino)-6-(4-propylpiperidin-1-yl)hexan-1-ol has a molecular weight of 298.52 g/mol, XLogP of 3.42, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propylamino)-6-(4-propylpiperidin-1-yl)hexan-1-ol is sourced from PubChem (CID 64786450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).