3-[1-(cyclobutylmethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]propan-1-ol

C18H36N2O — CID 83995351

IUPAC3-[1-(cyclobutylmethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]propan-1-ol
SMILESCC(C)(C)CNC1CC(CCCO)CN(CC2CCC2)C1
InChIInChI=1S/C18H36N2O/c1-18(2,3)14-19-17-10-16(8-5-9-21)12-20(13-17)11-15-6-4-7-15/h15-17,19,21H,4-14H2,1-3H3
InChIKeyPRUNBEQTEVOHCI-UHFFFAOYSA-N
MW296.50 g/mol
LogP2.89
Rot. Bonds7

About 3-[1-(cyclobutylmethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]propan-1-ol

3-[1-(cyclobutylmethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]propan-1-ol (PubChem CID 83995351) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 3-[1-(cyclobutylmethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(cyclobutylmethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]propan-1-ol
PubChem CID83995351
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name3-[1-(cyclobutylmethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]propan-1-ol
SMILESCC(C)(C)CNC1CC(CCCO)CN(CC2CCC2)C1
InChIInChI=1S/C18H36N2O/c1-18(2,3)14-19-17-10-16(8-5-9-21)12-20(13-17)11-15-6-4-7-15/h15-17,19,21H,4-14H2,1-3H3
InChIKeyPRUNBEQTEVOHCI-UHFFFAOYSA-N
XLogP2.89
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(cyclobutylmethyl)-5-(propylamino)piperidin-3-yl]propan-1-ol
CID 83991255
2-[3-(2,2-dimethylpropylamino)-5-(3-hydroxypropyl)piperidin-1-yl]acetic acid
CID 83995392
1,5-bis(cyclopropylmethyl)-N-(2,2-dimethylpropyl)piperidin-3-amine
CID 83995297
3-[5-(2,2-dimethylpropylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]propan-1-ol
CID 83995289
3-[1-(cyclopropylmethyl)-5-(3-methylbutylamino)piperidin-3-yl]propan-1-ol
CID 83995997
2-[3-(2,2-dimethylpropylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 83995449
1-[3-(2,2-dimethylpropylamino)-5-(3-hydroxypropyl)piperidin-1-yl]butan-1-one
CID 83995101
2-[1-(1-cyclobutylethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]ethanol
CID 83995340
2-[5-(cyclohexylamino)-1-(cyclopropylmethyl)piperidin-3-yl]ethanol
CID 83999450
2-[1-(cyclopropylmethyl)-5-(propylamino)piperidin-3-yl]ethanol
CID 83991207
N-[1-(cyclopentylmethyl)-5-(2-hydroxyethyl)piperidin-3-yl]acetamide
CID 112542022
ethyl N-[1-(cyclopropylmethyl)-5-(3-hydroxypropyl)piperidin-3-yl]carbamate
CID 112544061

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclobutylmethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]propan-1-ol?
The IUPAC name of 3-[1-(cyclobutylmethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]propan-1-ol (CID 83995351) is 3-[1-(cyclobutylmethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(cyclobutylmethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]propan-1-ol?
The canonical SMILES for 3-[1-(cyclobutylmethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]propan-1-ol is CC(C)(C)CNC1CC(CCCO)CN(CC2CCC2)C1.
What is the InChIKey of 3-[1-(cyclobutylmethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]propan-1-ol?
The InChIKey is PRUNBEQTEVOHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-18(2,3)14-19-17-10-16(8-5-9-21)12-20(13-17)11-15-6-4-7-15/h15-17,19,21H,4-14H2,1-3H3.
What are the key properties of 3-[1-(cyclobutylmethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]propan-1-ol?
3-[1-(cyclobutylmethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]propan-1-ol has a molecular weight of 296.50 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclobutylmethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]propan-1-ol is sourced from PubChem (CID 83995351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).