4-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propylamino)butan-1-ol

C14H31N3O — CID 64787609

IUPAC4-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propylamino)butan-1-ol
SMILESCCCNC(CO)CCN(C)C1CCCN(C)C1
InChIInChI=1S/C14H31N3O/c1-4-8-15-13(12-18)7-10-17(3)14-6-5-9-16(2)11-14/h13-15,18H,4-12H2,1-3H3
InChIKeyKMBPGZGHYZKWLB-UHFFFAOYSA-N
MW257.42 g/mol
LogP0.76
Rot. Bonds8

About 4-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propylamino)butan-1-ol

4-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propylamino)butan-1-ol (PubChem CID 64787609) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 4-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propylamino)butan-1-ol.

Molecular Properties

Compound Name4-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propylamino)butan-1-ol
PubChem CID64787609
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name4-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propylamino)butan-1-ol
SMILESCCCNC(CO)CCN(C)C1CCCN(C)C1
InChIInChI=1S/C14H31N3O/c1-4-8-15-13(12-18)7-10-17(3)14-6-5-9-16(2)11-14/h13-15,18H,4-12H2,1-3H3
InChIKeyKMBPGZGHYZKWLB-UHFFFAOYSA-N
XLogP0.76
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-methyl-1-N-(1-methylpiperidin-3-yl)-3-N-propylbutane-1,3-diamine
CID 62546063
methyl 4-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propylamino)butanoate
CID 63054708
4-[cyclobutylmethyl(methyl)amino]-2-(propylamino)butan-1-ol
CID 64787236
2-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]ethanol
CID 66565626
4-[cyclohexylmethyl(methyl)amino]-2-(propylamino)butan-1-ol
CID 64827016
4-[methyl-(2-methylcyclohexyl)amino]-2-(propylamino)butan-1-ol
CID 64827364
N-hexyl-N,1-dimethylpiperidin-3-amine
CID 71906386
4-[cyclohexyl(ethyl)amino]-2-(propylamino)butan-1-ol
CID 64798399
N'-methyl-N-(5-methylhexan-2-yl)-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 62560698
N'-methyl-N-(4-methylcyclohexyl)-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 62561053
2-ethyl-2-(ethylamino)-5-[methyl-(1-methylpiperidin-3-yl)amino]pentan-1-ol
CID 106808673
N,1-dimethyl-N-[[2-(propylamino)cyclopentyl]methyl]piperidin-3-amine
CID 55094812

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propylamino)butan-1-ol?
The IUPAC name of 4-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propylamino)butan-1-ol (CID 64787609) is 4-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propylamino)butan-1-ol.
What is the SMILES notation for 4-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propylamino)butan-1-ol?
The canonical SMILES for 4-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propylamino)butan-1-ol is CCCNC(CO)CCN(C)C1CCCN(C)C1.
What is the InChIKey of 4-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propylamino)butan-1-ol?
The InChIKey is KMBPGZGHYZKWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-4-8-15-13(12-18)7-10-17(3)14-6-5-9-16(2)11-14/h13-15,18H,4-12H2,1-3H3.
What are the key properties of 4-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propylamino)butan-1-ol?
4-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propylamino)butan-1-ol has a molecular weight of 257.42 g/mol, XLogP of 0.76, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propylamino)butan-1-ol is sourced from PubChem (CID 64787609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).