[1-[4-[[(3-ethylcyclopentyl)amino]methyl]phenyl]piperidin-4-yl]methanol

C20H32N2O — CID 111466478

IUPAC[1-[4-[[(3-ethylcyclopentyl)amino]methyl]phenyl]piperidin-4-yl]methanol
SMILESCCC1CCC(NCc2ccc(N3CCC(CO)CC3)cc2)C1
InChIInChI=1S/C20H32N2O/c1-2-16-3-6-19(13-16)21-14-17-4-7-20(8-5-17)22-11-9-18(15-23)10-12-22/h4-5,7-8,16,18-19,21,23H,2-3,6,9-15H2,1H3
InChIKeyVKKYCJAHKKVLMI-UHFFFAOYSA-N
MW316.49 g/mol
LogP3.56
Rot. Bonds6

About [1-[4-[[(3-ethylcyclopentyl)amino]methyl]phenyl]piperidin-4-yl]methanol

[1-[4-[[(3-ethylcyclopentyl)amino]methyl]phenyl]piperidin-4-yl]methanol (PubChem CID 111466478) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is [1-[4-[[(3-ethylcyclopentyl)amino]methyl]phenyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[4-[[(3-ethylcyclopentyl)amino]methyl]phenyl]piperidin-4-yl]methanol
PubChem CID111466478
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC Name[1-[4-[[(3-ethylcyclopentyl)amino]methyl]phenyl]piperidin-4-yl]methanol
SMILESCCC1CCC(NCc2ccc(N3CCC(CO)CC3)cc2)C1
InChIInChI=1S/C20H32N2O/c1-2-16-3-6-19(13-16)21-14-17-4-7-20(8-5-17)22-11-9-18(15-23)10-12-22/h4-5,7-8,16,18-19,21,23H,2-3,6,9-15H2,1H3
InChIKeyVKKYCJAHKKVLMI-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(R)-2-amino-3-(4-octylphenylamino)propan-1-ol
CID 45255203
{1-[2-(Aminomethyl)phenyl]piperidin-4-yl}methanol
CID 2764546
Cambridge id 5261269
CID 2838100
2-[4-(4-Methylamino-phenyl)-piperidin-1-yl]-cyclohexanol
CID 15925826
N-(4-{[4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl}phenyl)acetamide
CID 16188588
2-{1-Methyl-4-[1-(4-methylphenyl)-4-piperidinyl]-2-piperazinyl}ethanol
CID 23723426
3-[[4-(N-phenylanilino)phenyl]methylamino]propan-1-ol
CID 9263275
N-(4-{[3-(2-hydroxyethyl)-4-(3-methyl-2-buten-1-yl)-1-piperazinyl]methyl}phenyl)acetamide
CID 16187341
N-(4-{[4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl}phenyl)acetamide
CID 16191203
1-(4-(Aminomethyl)phenyl)piperidin-4-ol
CID 28409679
N-(4-{[3-(2-hydroxyethyl)-4-(3-methylbutyl)-1-piperazinyl]methyl}phenyl)acetamide
CID 16190910
1-(4-{[3-(2-Hydroxyethyl)-4-(3-methylbutyl)-1-piperazinyl]methyl}phenyl)-2-imidazolidinone
CID 16191384

Frequently Asked Questions

What is the IUPAC name of [1-[4-[[(3-ethylcyclopentyl)amino]methyl]phenyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[4-[[(3-ethylcyclopentyl)amino]methyl]phenyl]piperidin-4-yl]methanol (CID 111466478) is [1-[4-[[(3-ethylcyclopentyl)amino]methyl]phenyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[4-[[(3-ethylcyclopentyl)amino]methyl]phenyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[4-[[(3-ethylcyclopentyl)amino]methyl]phenyl]piperidin-4-yl]methanol is CCC1CCC(NCc2ccc(N3CCC(CO)CC3)cc2)C1.
What is the InChIKey of [1-[4-[[(3-ethylcyclopentyl)amino]methyl]phenyl]piperidin-4-yl]methanol?
The InChIKey is VKKYCJAHKKVLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O/c1-2-16-3-6-19(13-16)21-14-17-4-7-20(8-5-17)22-11-9-18(15-23)10-12-22/h4-5,7-8,16,18-19,21,23H,2-3,6,9-15H2,1H3.
What are the key properties of [1-[4-[[(3-ethylcyclopentyl)amino]methyl]phenyl]piperidin-4-yl]methanol?
[1-[4-[[(3-ethylcyclopentyl)amino]methyl]phenyl]piperidin-4-yl]methanol has a molecular weight of 316.49 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[[(3-ethylcyclopentyl)amino]methyl]phenyl]piperidin-4-yl]methanol is sourced from PubChem (CID 111466478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).