3-(cyclobutylamino)-2-(1-methylpiperidin-4-yl)propan-1-ol

C13H26N2O — CID 117239023

IUPAC3-(cyclobutylamino)-2-(1-methylpiperidin-4-yl)propan-1-ol
SMILESCN1CCC(C(CO)CNC2CCC2)CC1
InChIInChI=1S/C13H26N2O/c1-15-7-5-11(6-8-15)12(10-16)9-14-13-3-2-4-13/h11-14,16H,2-10H2,1H3
InChIKeyWSMOKYUNUCAMMQ-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.08
Rot. Bonds5

About 3-(cyclobutylamino)-2-(1-methylpiperidin-4-yl)propan-1-ol

3-(cyclobutylamino)-2-(1-methylpiperidin-4-yl)propan-1-ol (PubChem CID 117239023) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-(cyclobutylamino)-2-(1-methylpiperidin-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-(cyclobutylamino)-2-(1-methylpiperidin-4-yl)propan-1-ol
PubChem CID117239023
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-(cyclobutylamino)-2-(1-methylpiperidin-4-yl)propan-1-ol
SMILESCN1CCC(C(CO)CNC2CCC2)CC1
InChIInChI=1S/C13H26N2O/c1-15-7-5-11(6-8-15)12(10-16)9-14-13-3-2-4-13/h11-14,16H,2-10H2,1H3
InChIKeyWSMOKYUNUCAMMQ-UHFFFAOYSA-N
XLogP1.08
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclobutyl-3-(cyclobutylamino)propan-1-ol
CID 117245604
N'-cyclobutyl-1-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine
CID 117237112
2-[[(1-methylpiperidin-4-yl)amino]methyl]pentan-1-ol
CID 142846746
N'-cyclopentyl-1-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine
CID 117237125
3-(cyclopentylamino)-2-(oxolan-3-yl)propan-1-ol
CID 117237577
[3-hydroxy-2-(1-methylpiperidin-4-yl)propyl] hypoiodite
CID 146536290
1-[(1-methylpiperidin-4-yl)amino]pentan-2-ol
CID 115676989
(1S)-1-(1-methylpiperidin-4-yl)ethane-1,2-diol
CID 143640316
2-[(cyclobutylamino)methyl]pentan-1-ol
CID 117241776
N'-cyclobutyl-2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine
CID 117237573
4,4-dimethyl-1-[(1-methylazepan-4-yl)amino]pentan-2-ol
CID 103859816
N-(2-methoxypropyl)-1-methylazepan-4-amine
CID 102695962

Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylamino)-2-(1-methylpiperidin-4-yl)propan-1-ol?
The IUPAC name of 3-(cyclobutylamino)-2-(1-methylpiperidin-4-yl)propan-1-ol (CID 117239023) is 3-(cyclobutylamino)-2-(1-methylpiperidin-4-yl)propan-1-ol.
What is the SMILES notation for 3-(cyclobutylamino)-2-(1-methylpiperidin-4-yl)propan-1-ol?
The canonical SMILES for 3-(cyclobutylamino)-2-(1-methylpiperidin-4-yl)propan-1-ol is CN1CCC(C(CO)CNC2CCC2)CC1.
What is the InChIKey of 3-(cyclobutylamino)-2-(1-methylpiperidin-4-yl)propan-1-ol?
The InChIKey is WSMOKYUNUCAMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-15-7-5-11(6-8-15)12(10-16)9-14-13-3-2-4-13/h11-14,16H,2-10H2,1H3.
What are the key properties of 3-(cyclobutylamino)-2-(1-methylpiperidin-4-yl)propan-1-ol?
3-(cyclobutylamino)-2-(1-methylpiperidin-4-yl)propan-1-ol has a molecular weight of 226.36 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylamino)-2-(1-methylpiperidin-4-yl)propan-1-ol is sourced from PubChem (CID 117239023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).