3-amino-4-methoxy-2-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol

C15H31N3O2 — CID 114356774

IUPAC3-amino-4-methoxy-2-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol
SMILESCOCC(N)C(CO)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C15H31N3O2/c1-20-12-14(16)15(11-19)18-9-5-13(6-10-18)17-7-3-2-4-8-17/h13-15,19H,2-12,16H2,1H3
InChIKeyQZBJPHSFDMRERE-UHFFFAOYSA-N
MW285.43 g/mol
LogP0.27
Rot. Bonds6

About 3-amino-4-methoxy-2-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol

3-amino-4-methoxy-2-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol (PubChem CID 114356774) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 3-amino-4-methoxy-2-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol.

Molecular Properties

Compound Name3-amino-4-methoxy-2-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol
PubChem CID114356774
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name3-amino-4-methoxy-2-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol
SMILESCOCC(N)C(CO)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C15H31N3O2/c1-20-12-14(16)15(11-19)18-9-5-13(6-10-18)17-7-3-2-4-8-17/h13-15,19H,2-12,16H2,1H3
InChIKeyQZBJPHSFDMRERE-UHFFFAOYSA-N
XLogP0.27
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-4-methoxy-2-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-4-methoxy-2-[3-(methoxymethyl)pyrrolidin-1-yl]butan-1-ol
CID 114357377
3-amino-4-methoxy-2-(4-methylpiperazin-1-yl)butan-1-ol
CID 114356429
3-amino-4-methoxy-2-(1,4-oxazepan-4-yl)butan-1-ol
CID 114357161
3-amino-4-methoxy-2-(3-propylpyrrolidin-1-yl)butan-1-ol
CID 114357613
3-amino-4-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-ol
CID 114357229
3-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)butan-1-amine
CID 61217888
3-amino-2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pentan-1-ol
CID 113459495
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-amino-4-methoxybutan-1-ol
CID 114356735
3-amino-2-(4-methoxypiperidin-1-yl)pentan-1-ol
CID 104840321
ethyl 2-(4-piperidin-1-ylpiperidin-1-yl)pentanoate
CID 78964155
3-amino-2-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-1-ol
CID 104840464
2-(4-piperidin-1-ylpiperidin-1-yl)butanehydrazide
CID 63571373

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-2-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol?
The IUPAC name of 3-amino-4-methoxy-2-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol (CID 114356774) is 3-amino-4-methoxy-2-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol.
What is the SMILES notation for 3-amino-4-methoxy-2-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol?
The canonical SMILES for 3-amino-4-methoxy-2-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol is COCC(N)C(CO)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 3-amino-4-methoxy-2-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol?
The InChIKey is QZBJPHSFDMRERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-20-12-14(16)15(11-19)18-9-5-13(6-10-18)17-7-3-2-4-8-17/h13-15,19H,2-12,16H2,1H3.
What are the key properties of 3-amino-4-methoxy-2-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol?
3-amino-4-methoxy-2-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol has a molecular weight of 285.43 g/mol, XLogP of 0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-2-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol is sourced from PubChem (CID 114356774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).