1-[2-[(cyclopropylamino)methyl]phenyl]piperidin-3-ol

C15H22N2O — CID 61434347

IUPAC1-[2-[(cyclopropylamino)methyl]phenyl]piperidin-3-ol
SMILESOC1CCCN(c2ccccc2CNC2CC2)C1
InChIInChI=1S/C15H22N2O/c18-14-5-3-9-17(11-14)15-6-2-1-4-12(15)10-16-13-7-8-13/h1-2,4,6,13-14,16,18H,3,5,7-11H2
InChIKeyLWYUMHKIVWRFFA-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.90
Rot. Bonds4

About 1-[2-[(cyclopropylamino)methyl]phenyl]piperidin-3-ol

1-[2-[(cyclopropylamino)methyl]phenyl]piperidin-3-ol (PubChem CID 61434347) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[2-[(cyclopropylamino)methyl]phenyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[2-[(cyclopropylamino)methyl]phenyl]piperidin-3-ol
PubChem CID61434347
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-[2-[(cyclopropylamino)methyl]phenyl]piperidin-3-ol
SMILESOC1CCCN(c2ccccc2CNC2CC2)C1
InChIInChI=1S/C15H22N2O/c18-14-5-3-9-17(11-14)15-6-2-1-4-12(15)10-16-13-7-8-13/h1-2,4,6,13-14,16,18H,3,5,7-11H2
InChIKeyLWYUMHKIVWRFFA-UHFFFAOYSA-N
XLogP1.90
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(cyclopropylamino)methyl]phenyl]piperidine-3-carboxamide
CID 43280219
4-[(2-morpholin-4-ylphenyl)methylamino]cyclohexan-1-ol
CID 110928598
N-[(2-thiomorpholin-4-ylphenyl)methyl]cyclopropanamine
CID 43281422
1-[3-chloro-2-[(cyclopropylamino)methyl]phenyl]pyrrolidin-3-ol
CID 62943203
N-[[2-(3,4-dimethoxypyrrolidin-1-yl)phenyl]methyl]cyclopropanamine
CID 103535965
N-[[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]methyl]cyclopropanamine
CID 63972921
1-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)phenyl]-N-methylmethanamine
CID 63150727
N-[[5-(trifluoromethyl)-2-[3-(trifluoromethyl)piperidin-1-yl]phenyl]methyl]cyclopropanamine
CID 169490369
N-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methyl]cyclopropanamine
CID 43280580
1-[3-bromo-4-[(cyclopropylamino)methyl]phenyl]pyrrolidin-3-ol
CID 114060813
[1-[2-(propylaminomethyl)phenyl]piperidin-3-yl]methanol
CID 43590495
N-[[2-(3-methoxypiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 102961556

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(cyclopropylamino)methyl]phenyl]piperidin-3-ol?
The IUPAC name of 1-[2-[(cyclopropylamino)methyl]phenyl]piperidin-3-ol (CID 61434347) is 1-[2-[(cyclopropylamino)methyl]phenyl]piperidin-3-ol.
What is the SMILES notation for 1-[2-[(cyclopropylamino)methyl]phenyl]piperidin-3-ol?
The canonical SMILES for 1-[2-[(cyclopropylamino)methyl]phenyl]piperidin-3-ol is OC1CCCN(c2ccccc2CNC2CC2)C1.
What is the InChIKey of 1-[2-[(cyclopropylamino)methyl]phenyl]piperidin-3-ol?
The InChIKey is LWYUMHKIVWRFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c18-14-5-3-9-17(11-14)15-6-2-1-4-12(15)10-16-13-7-8-13/h1-2,4,6,13-14,16,18H,3,5,7-11H2.
What are the key properties of 1-[2-[(cyclopropylamino)methyl]phenyl]piperidin-3-ol?
1-[2-[(cyclopropylamino)methyl]phenyl]piperidin-3-ol has a molecular weight of 246.35 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(cyclopropylamino)methyl]phenyl]piperidin-3-ol is sourced from PubChem (CID 61434347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).