1-[3-(2,8-dimethylnonan-5-ylamino)propyl]piperidin-4-ol

C19H40N2O — CID 19026102

IUPAC1-[3-(2,8-dimethylnonan-5-ylamino)propyl]piperidin-4-ol
SMILESCC(C)CCC(CCC(C)C)NCCCN1CCC(O)CC1
InChIInChI=1S/C19H40N2O/c1-16(2)6-8-18(9-7-17(3)4)20-12-5-13-21-14-10-19(22)11-15-21/h16-20,22H,5-15H2,1-4H3
InChIKeyYLFCZPKXTCVRRU-UHFFFAOYSA-N
MW312.54 g/mol
LogP3.66
Rot. Bonds11

About 1-[3-(2,8-dimethylnonan-5-ylamino)propyl]piperidin-4-ol

1-[3-(2,8-dimethylnonan-5-ylamino)propyl]piperidin-4-ol (PubChem CID 19026102) has the molecular formula C19H40N2O and a molecular weight of 312.54 g/mol. Its IUPAC name is 1-[3-(2,8-dimethylnonan-5-ylamino)propyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-(2,8-dimethylnonan-5-ylamino)propyl]piperidin-4-ol
PubChem CID19026102
Molecular FormulaC19H40N2O
Molecular Weight312.54 g/mol
Exact Mass312.31
IUPAC Name1-[3-(2,8-dimethylnonan-5-ylamino)propyl]piperidin-4-ol
SMILESCC(C)CCC(CCC(C)C)NCCCN1CCC(O)CC1
InChIInChI=1S/C19H40N2O/c1-16(2)6-8-18(9-7-17(3)4)20-12-5-13-21-14-10-19(22)11-15-21/h16-20,22H,5-15H2,1-4H3
InChIKeyYLFCZPKXTCVRRU-UHFFFAOYSA-N
XLogP3.66
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.54
LogP ≤ 53.66
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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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,8-dimethylnonan-5-ylamino)propyl]piperidin-4-ol?
The IUPAC name of 1-[3-(2,8-dimethylnonan-5-ylamino)propyl]piperidin-4-ol (CID 19026102) is 1-[3-(2,8-dimethylnonan-5-ylamino)propyl]piperidin-4-ol.
What is the SMILES notation for 1-[3-(2,8-dimethylnonan-5-ylamino)propyl]piperidin-4-ol?
The canonical SMILES for 1-[3-(2,8-dimethylnonan-5-ylamino)propyl]piperidin-4-ol is CC(C)CCC(CCC(C)C)NCCCN1CCC(O)CC1.
What is the InChIKey of 1-[3-(2,8-dimethylnonan-5-ylamino)propyl]piperidin-4-ol?
The InChIKey is YLFCZPKXTCVRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2O/c1-16(2)6-8-18(9-7-17(3)4)20-12-5-13-21-14-10-19(22)11-15-21/h16-20,22H,5-15H2,1-4H3.
What are the key properties of 1-[3-(2,8-dimethylnonan-5-ylamino)propyl]piperidin-4-ol?
1-[3-(2,8-dimethylnonan-5-ylamino)propyl]piperidin-4-ol has a molecular weight of 312.54 g/mol, XLogP of 3.66, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,8-dimethylnonan-5-ylamino)propyl]piperidin-4-ol is sourced from PubChem (CID 19026102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).