4-methyl-1-[(1-propylpiperidin-4-yl)amino]pentan-2-ol

C14H30N2O — CID 103779663

IUPAC4-methyl-1-[(1-propylpiperidin-4-yl)amino]pentan-2-ol
SMILESCCCN1CCC(NCC(O)CC(C)C)CC1
InChIInChI=1S/C14H30N2O/c1-4-7-16-8-5-13(6-9-16)15-11-14(17)10-12(2)3/h12-15,17H,4-11H2,1-3H3
InChIKeyFTIXRRWKTOPEBW-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.86
Rot. Bonds7

About 4-methyl-1-[(1-propylpiperidin-4-yl)amino]pentan-2-ol

4-methyl-1-[(1-propylpiperidin-4-yl)amino]pentan-2-ol (PubChem CID 103779663) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 4-methyl-1-[(1-propylpiperidin-4-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name4-methyl-1-[(1-propylpiperidin-4-yl)amino]pentan-2-ol
PubChem CID103779663
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name4-methyl-1-[(1-propylpiperidin-4-yl)amino]pentan-2-ol
SMILESCCCN1CCC(NCC(O)CC(C)C)CC1
InChIInChI=1S/C14H30N2O/c1-4-7-16-8-5-13(6-9-16)15-11-14(17)10-12(2)3/h12-15,17H,4-11H2,1-3H3
InChIKeyFTIXRRWKTOPEBW-UHFFFAOYSA-N
XLogP1.86
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-ethylpiperidin-4-yl)amino]-4-methylpentan-2-ol
CID 115714806
4-methyl-1-[(1-propan-2-ylazepan-4-yl)amino]pentan-2-ol
CID 107151725
2-methyl-3-[(1-propylazepan-4-yl)amino]propan-1-ol
CID 65078153
N-(2-methylsulfinylpropyl)-1-propylpiperidin-4-amine
CID 115901563
2-N,2-N-dimethyl-1-N-(1-propylazepan-4-yl)propane-1,2-diamine
CID 65073378
3-methyl-4-[(1-propylazepan-4-yl)amino]butan-1-ol
CID 66089662
4-methyl-1-[(1-phenylpiperidin-4-yl)amino]pentan-2-ol
CID 103779736
1-[(1-methylpiperidin-4-yl)amino]pentan-2-ol
CID 115676989
4-methyl-1-[(4-propylcycloheptyl)amino]pentan-2-ol
CID 107151769
N-(2-methoxypropyl)-1-propylazepan-4-amine
CID 102696547
(1S)-1-(furan-2-yl)-2-[(1-propylpiperidin-4-yl)amino]ethanol
CID 97053749
N,N,4-trimethyl-2-[(1-propylpiperidin-4-yl)amino]pentanamide
CID 43674980

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(1-propylpiperidin-4-yl)amino]pentan-2-ol?
The IUPAC name of 4-methyl-1-[(1-propylpiperidin-4-yl)amino]pentan-2-ol (CID 103779663) is 4-methyl-1-[(1-propylpiperidin-4-yl)amino]pentan-2-ol.
What is the SMILES notation for 4-methyl-1-[(1-propylpiperidin-4-yl)amino]pentan-2-ol?
The canonical SMILES for 4-methyl-1-[(1-propylpiperidin-4-yl)amino]pentan-2-ol is CCCN1CCC(NCC(O)CC(C)C)CC1.
What is the InChIKey of 4-methyl-1-[(1-propylpiperidin-4-yl)amino]pentan-2-ol?
The InChIKey is FTIXRRWKTOPEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-4-7-16-8-5-13(6-9-16)15-11-14(17)10-12(2)3/h12-15,17H,4-11H2,1-3H3.
What are the key properties of 4-methyl-1-[(1-propylpiperidin-4-yl)amino]pentan-2-ol?
4-methyl-1-[(1-propylpiperidin-4-yl)amino]pentan-2-ol has a molecular weight of 242.41 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(1-propylpiperidin-4-yl)amino]pentan-2-ol is sourced from PubChem (CID 103779663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).