3-[1-(cyclobutylmethyl)-5-(propylamino)piperidin-3-yl]propan-1-ol

C16H32N2O — CID 83991255

IUPAC3-[1-(cyclobutylmethyl)-5-(propylamino)piperidin-3-yl]propan-1-ol
SMILESCCCNC1CC(CCCO)CN(CC2CCC2)C1
InChIInChI=1S/C16H32N2O/c1-2-8-17-16-10-15(7-4-9-19)12-18(13-16)11-14-5-3-6-14/h14-17,19H,2-13H2,1H3
InChIKeyIZXKBTCFOQTZEP-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.25
Rot. Bonds8

About 3-[1-(cyclobutylmethyl)-5-(propylamino)piperidin-3-yl]propan-1-ol

3-[1-(cyclobutylmethyl)-5-(propylamino)piperidin-3-yl]propan-1-ol (PubChem CID 83991255) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 3-[1-(cyclobutylmethyl)-5-(propylamino)piperidin-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(cyclobutylmethyl)-5-(propylamino)piperidin-3-yl]propan-1-ol
PubChem CID83991255
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name3-[1-(cyclobutylmethyl)-5-(propylamino)piperidin-3-yl]propan-1-ol
SMILESCCCNC1CC(CCCO)CN(CC2CCC2)C1
InChIInChI=1S/C16H32N2O/c1-2-8-17-16-10-15(7-4-9-19)12-18(13-16)11-14-5-3-6-14/h14-17,19H,2-13H2,1H3
InChIKeyIZXKBTCFOQTZEP-UHFFFAOYSA-N
XLogP2.25
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(cyclopropylmethyl)-5-(propylamino)piperidin-3-yl]ethanol
CID 83991207
3-[1-(cyclobutylmethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]propan-1-ol
CID 83995351
3-[1-(cyclopropylmethyl)-5-(3-methylbutylamino)piperidin-3-yl]propan-1-ol
CID 83995997
1-(cyclopentylmethyl)-5-ethyl-N-propylpiperidin-3-amine
CID 83991259
1-(cyclohexylmethyl)-5-ethyl-N-propylpiperidin-3-amine
CID 83991266
1-(cyclopropylmethyl)-5-ethyl-N-propylpiperidin-3-amine
CID 83991199
ethyl N-[1-(cyclopropylmethyl)-5-(3-hydroxypropyl)piperidin-3-yl]carbamate
CID 112544061
3-[5-(cyclopropylmethylamino)-1-propylpiperidin-3-yl]propan-1-ol
CID 83996295
3-[1-ethyl-5-(ethylamino)piperidin-3-yl]propan-1-ol
CID 83990202
2-[5-(cyclohexylamino)-1-(cyclopropylmethyl)piperidin-3-yl]ethanol
CID 83999450
3-[5-(cyclopropylmethylamino)-1-ethylpiperidin-3-yl]propan-1-ol
CID 83996265
N-[1-(cyclopentylmethyl)-5-(2-hydroxyethyl)piperidin-3-yl]acetamide
CID 112542022

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclobutylmethyl)-5-(propylamino)piperidin-3-yl]propan-1-ol?
The IUPAC name of 3-[1-(cyclobutylmethyl)-5-(propylamino)piperidin-3-yl]propan-1-ol (CID 83991255) is 3-[1-(cyclobutylmethyl)-5-(propylamino)piperidin-3-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(cyclobutylmethyl)-5-(propylamino)piperidin-3-yl]propan-1-ol?
The canonical SMILES for 3-[1-(cyclobutylmethyl)-5-(propylamino)piperidin-3-yl]propan-1-ol is CCCNC1CC(CCCO)CN(CC2CCC2)C1.
What is the InChIKey of 3-[1-(cyclobutylmethyl)-5-(propylamino)piperidin-3-yl]propan-1-ol?
The InChIKey is IZXKBTCFOQTZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-2-8-17-16-10-15(7-4-9-19)12-18(13-16)11-14-5-3-6-14/h14-17,19H,2-13H2,1H3.
What are the key properties of 3-[1-(cyclobutylmethyl)-5-(propylamino)piperidin-3-yl]propan-1-ol?
3-[1-(cyclobutylmethyl)-5-(propylamino)piperidin-3-yl]propan-1-ol has a molecular weight of 268.44 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclobutylmethyl)-5-(propylamino)piperidin-3-yl]propan-1-ol is sourced from PubChem (CID 83991255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).