1-[[2-[[(3-ethylcyclopentyl)amino]methyl]phenyl]methyl]piperidin-4-ol

C20H32N2O — CID 111778147

IUPAC1-[[2-[[(3-ethylcyclopentyl)amino]methyl]phenyl]methyl]piperidin-4-ol
SMILESCCC1CCC(NCc2ccccc2CN2CCC(O)CC2)C1
InChIInChI=1S/C20H32N2O/c1-2-16-7-8-19(13-16)21-14-17-5-3-4-6-18(17)15-22-11-9-20(23)10-12-22/h3-6,16,19-21,23H,2,7-15H2,1H3
InChIKeyFGESTKKVYIOYDL-UHFFFAOYSA-N
MW316.49 g/mol
LogP3.31
Rot. Bonds6

About 1-[[2-[[(3-ethylcyclopentyl)amino]methyl]phenyl]methyl]piperidin-4-ol

1-[[2-[[(3-ethylcyclopentyl)amino]methyl]phenyl]methyl]piperidin-4-ol (PubChem CID 111778147) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is 1-[[2-[[(3-ethylcyclopentyl)amino]methyl]phenyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[2-[[(3-ethylcyclopentyl)amino]methyl]phenyl]methyl]piperidin-4-ol
PubChem CID111778147
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC Name1-[[2-[[(3-ethylcyclopentyl)amino]methyl]phenyl]methyl]piperidin-4-ol
SMILESCCC1CCC(NCc2ccccc2CN2CCC(O)CC2)C1
InChIInChI=1S/C20H32N2O/c1-2-16-7-8-19(13-16)21-14-17-5-3-4-6-18(17)15-22-11-9-20(23)10-12-22/h3-6,16,19-21,23H,2,7-15H2,1H3
InChIKeyFGESTKKVYIOYDL-UHFFFAOYSA-N
XLogP3.31
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[2-[[(3-ethylcyclopentyl)amino]methyl]phenyl]methyl]piperidin-4-ol with MolForge

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Related Compounds

1-[[2-[(cyclopropylmethylamino)methyl]phenyl]methyl]piperidin-4-ol
CID 111778142
3-ethyl-N-[(2-methoxyphenyl)methyl]cyclopentan-1-amine
CID 64500368
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 111520289
1-[[2-[[(2-methylphenyl)methylamino]methyl]phenyl]methyl]piperidin-4-ol
CID 111778128
1-[[2-[(1-cyclohexylethylamino)methyl]phenyl]methyl]piperidin-4-ol
CID 111925768
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]cyclopropanamine
CID 62439214
N-[[2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]cyclopropanamine
CID 64583192
1-[[2-[(cyclopropylamino)methyl]phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 63167084
N-(3-ethylcyclopentyl)-4-(pyrrolidin-1-ylmethyl)aniline
CID 64501891
1-[(2-fluorophenyl)methyl]piperidin-4-ol
CID 10242192
1-[[2-[[[(3aR,4R,8aR)-2-benzyl-3,3a,4,5,6,7,8,8a-octahydro-1H-cyclohepta[c]pyrrol-4-yl]amino]methyl]phenyl]methyl]piperidin-4-ol
CID 100705836
3-ethyl-N-[2-(2-methylphenyl)ethyl]cyclopentan-1-amine
CID 79032945

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[[(3-ethylcyclopentyl)amino]methyl]phenyl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[2-[[(3-ethylcyclopentyl)amino]methyl]phenyl]methyl]piperidin-4-ol (CID 111778147) is 1-[[2-[[(3-ethylcyclopentyl)amino]methyl]phenyl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[2-[[(3-ethylcyclopentyl)amino]methyl]phenyl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[2-[[(3-ethylcyclopentyl)amino]methyl]phenyl]methyl]piperidin-4-ol is CCC1CCC(NCc2ccccc2CN2CCC(O)CC2)C1.
What is the InChIKey of 1-[[2-[[(3-ethylcyclopentyl)amino]methyl]phenyl]methyl]piperidin-4-ol?
The InChIKey is FGESTKKVYIOYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O/c1-2-16-7-8-19(13-16)21-14-17-5-3-4-6-18(17)15-22-11-9-20(23)10-12-22/h3-6,16,19-21,23H,2,7-15H2,1H3.
What are the key properties of 1-[[2-[[(3-ethylcyclopentyl)amino]methyl]phenyl]methyl]piperidin-4-ol?
1-[[2-[[(3-ethylcyclopentyl)amino]methyl]phenyl]methyl]piperidin-4-ol has a molecular weight of 316.49 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[[(3-ethylcyclopentyl)amino]methyl]phenyl]methyl]piperidin-4-ol is sourced from PubChem (CID 111778147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).