2-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]propan-1-ol

C12H24N2O — CID 115724726

IUPAC2-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]propan-1-ol
SMILESCC(CO)NC1CCN(CC2CC2)CC1
InChIInChI=1S/C12H24N2O/c1-10(9-15)13-12-4-6-14(7-5-12)8-11-2-3-11/h10-13,15H,2-9H2,1H3
InChIKeyWCPWLXIKDKCZAQ-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.83
Rot. Bonds5

About 2-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]propan-1-ol

2-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]propan-1-ol (PubChem CID 115724726) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name2-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]propan-1-ol
PubChem CID115724726
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]propan-1-ol
SMILESCC(CO)NC1CCN(CC2CC2)CC1
InChIInChI=1S/C12H24N2O/c1-10(9-15)13-12-4-6-14(7-5-12)8-11-2-3-11/h10-13,15H,2-9H2,1H3
InChIKeyWCPWLXIKDKCZAQ-UHFFFAOYSA-N
XLogP0.83
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]propane-1,3-diol
CID 115724142
1-(cyclopropylmethyl)-N-pentan-2-ylpiperidin-4-amine
CID 115704112
2-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]propan-1-ol
CID 115724759
2-[(1-ethylazepan-4-yl)amino]propan-1-ol
CID 65074145
(2S)-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol
CID 103788940
1-(cyclopropylmethyl)-N-(4-methylpentan-2-yl)pyrrolidin-3-amine
CID 115718359
4-(1-hydroxypropan-2-ylamino)piperidine-1-carboxamide
CID 43776407
2-[(1-benzylpiperidin-4-yl)amino]propan-1-ol
CID 43499736
2-(cyclododecylamino)propan-1-ol
CID 43499740
1-[(1-ethylpiperidin-4-yl)methyl]-N-propan-2-ylpiperidin-4-amine;molecular hydrogen
CID 166113030
(2R)-2-[(4-methoxycyclohexyl)amino]propan-1-ol
CID 114983116
(3R)-3-[(1-ethylpiperidin-4-yl)amino]butan-1-ol
CID 103914392

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]propan-1-ol?
The IUPAC name of 2-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]propan-1-ol (CID 115724726) is 2-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 2-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]propan-1-ol?
The canonical SMILES for 2-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]propan-1-ol is CC(CO)NC1CCN(CC2CC2)CC1.
What is the InChIKey of 2-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]propan-1-ol?
The InChIKey is WCPWLXIKDKCZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10(9-15)13-12-4-6-14(7-5-12)8-11-2-3-11/h10-13,15H,2-9H2,1H3.
What are the key properties of 2-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]propan-1-ol?
2-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]propan-1-ol has a molecular weight of 212.34 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 115724726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).