1-[[2-[(cyclopropylmethylamino)methyl]phenyl]methyl]piperidin-4-ol

C17H26N2O — CID 111778142

IUPAC1-[[2-[(cyclopropylmethylamino)methyl]phenyl]methyl]piperidin-4-ol
SMILESOC1CCN(Cc2ccccc2CNCC2CC2)CC1
InChIInChI=1S/C17H26N2O/c20-17-7-9-19(10-8-17)13-16-4-2-1-3-15(16)12-18-11-14-5-6-14/h1-4,14,17-18,20H,5-13H2
InChIKeyXUFSMCKFHLNRFE-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.14
Rot. Bonds6

About 1-[[2-[(cyclopropylmethylamino)methyl]phenyl]methyl]piperidin-4-ol

1-[[2-[(cyclopropylmethylamino)methyl]phenyl]methyl]piperidin-4-ol (PubChem CID 111778142) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[[2-[(cyclopropylmethylamino)methyl]phenyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[2-[(cyclopropylmethylamino)methyl]phenyl]methyl]piperidin-4-ol
PubChem CID111778142
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-[[2-[(cyclopropylmethylamino)methyl]phenyl]methyl]piperidin-4-ol
SMILESOC1CCN(Cc2ccccc2CNCC2CC2)CC1
InChIInChI=1S/C17H26N2O/c20-17-7-9-19(10-8-17)13-16-4-2-1-3-15(16)12-18-11-14-5-6-14/h1-4,14,17-18,20H,5-13H2
InChIKeyXUFSMCKFHLNRFE-UHFFFAOYSA-N
XLogP2.14
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-[[(2-methylphenyl)methylamino]methyl]phenyl]methyl]piperidin-4-ol
CID 111778128
1-[[2-[(pyridin-3-ylmethylamino)methyl]phenyl]methyl]piperidin-4-ol
CID 71977852
1-[[2-[[(3-ethylcyclopentyl)amino]methyl]phenyl]methyl]piperidin-4-ol
CID 111778147
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 111520289
1-[(2-fluorophenyl)methyl]piperidin-4-ol
CID 10242192
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 71980057
methyl 2-[2-[[(4-hydroxycyclohexyl)methylamino]methyl]phenyl]acetate
CID 106133501
N-[[2-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 62427121
5-[[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]methyl]thiophene-3-carbonitrile
CID 111778172
4-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol
CID 106124800
1-[[2-[(1-cyclohexylethylamino)methyl]phenyl]methyl]piperidin-4-ol
CID 111925768
N-[(4-chlorophenyl)methyl]-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine
CID 155518071

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(cyclopropylmethylamino)methyl]phenyl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[2-[(cyclopropylmethylamino)methyl]phenyl]methyl]piperidin-4-ol (CID 111778142) is 1-[[2-[(cyclopropylmethylamino)methyl]phenyl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[2-[(cyclopropylmethylamino)methyl]phenyl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[2-[(cyclopropylmethylamino)methyl]phenyl]methyl]piperidin-4-ol is OC1CCN(Cc2ccccc2CNCC2CC2)CC1.
What is the InChIKey of 1-[[2-[(cyclopropylmethylamino)methyl]phenyl]methyl]piperidin-4-ol?
The InChIKey is XUFSMCKFHLNRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c20-17-7-9-19(10-8-17)13-16-4-2-1-3-15(16)12-18-11-14-5-6-14/h1-4,14,17-18,20H,5-13H2.
What are the key properties of 1-[[2-[(cyclopropylmethylamino)methyl]phenyl]methyl]piperidin-4-ol?
1-[[2-[(cyclopropylmethylamino)methyl]phenyl]methyl]piperidin-4-ol has a molecular weight of 274.41 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(cyclopropylmethylamino)methyl]phenyl]methyl]piperidin-4-ol is sourced from PubChem (CID 111778142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).