2-[4-(3-cyclopentylpropyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol

C22H43N3O — CID 45189829

IUPAC2-[4-(3-cyclopentylpropyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
SMILESCC(C)N1CCC(N2CCN(CCCC3CCCC3)CC2CCO)CC1
InChIInChI=1S/C22H43N3O/c1-19(2)24-13-9-21(10-14-24)25-16-15-23(18-22(25)11-17-26)12-5-8-20-6-3-4-7-20/h19-22,26H,3-18H2,1-2H3
InChIKeyGXHMUJGRDYYDEE-UHFFFAOYSA-N
MW365.61 g/mol
LogP3.20
Rot. Bonds8

About 2-[4-(3-cyclopentylpropyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol

2-[4-(3-cyclopentylpropyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol (PubChem CID 45189829) has the molecular formula C22H43N3O and a molecular weight of 365.61 g/mol. Its IUPAC name is 2-[4-(3-cyclopentylpropyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-(3-cyclopentylpropyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
PubChem CID45189829
Molecular FormulaC22H43N3O
Molecular Weight365.61 g/mol
Exact Mass365.34
IUPAC Name2-[4-(3-cyclopentylpropyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
SMILESCC(C)N1CCC(N2CCN(CCCC3CCCC3)CC2CCO)CC1
InChIInChI=1S/C22H43N3O/c1-19(2)24-13-9-21(10-14-24)25-16-15-23(18-22(25)11-17-26)12-5-8-20-6-3-4-7-20/h19-22,26H,3-18H2,1-2H3
InChIKeyGXHMUJGRDYYDEE-UHFFFAOYSA-N
XLogP3.20
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.61
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2,2-dimethylpropyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 45211321
4-[[(3S)-3-(2-hydroxyethyl)-4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]methyl]phenol
CID 29025292
2-[4-[(4-ethylphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 45186472
2-[(2S)-4-[[4-(2-methylpropyl)phenyl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 30733316
2-[(2S)-4-pentan-3-yl-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 92770438
2-[(2R)-4-(1,4-dithiepan-6-yl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 98617749
2-[(2R)-1-(1-propan-2-ylpiperidin-4-yl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-yl]ethanol
CID 98587542
2-[4-[(2-fluorophenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 45171701
2-[(2R)-1-cyclopentyl-4-(cyclopropylmethyl)piperazin-2-yl]ethanol
CID 51633511
2-[1-(1-propan-2-ylpiperidin-4-yl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45178979
2-[(2S)-1-cyclohexyl-4-(cyclopropylmethyl)piperazin-2-yl]ethanol
CID 28733174
2-[(2R)-4-[(2,4-difluorophenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 98578927

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-cyclopentylpropyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-(3-cyclopentylpropyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol (CID 45189829) is 2-[4-(3-cyclopentylpropyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-(3-cyclopentylpropyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-(3-cyclopentylpropyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol is CC(C)N1CCC(N2CCN(CCCC3CCCC3)CC2CCO)CC1.
What is the InChIKey of 2-[4-(3-cyclopentylpropyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The InChIKey is GXHMUJGRDYYDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N3O/c1-19(2)24-13-9-21(10-14-24)25-16-15-23(18-22(25)11-17-26)12-5-8-20-6-3-4-7-20/h19-22,26H,3-18H2,1-2H3.
What are the key properties of 2-[4-(3-cyclopentylpropyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
2-[4-(3-cyclopentylpropyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol has a molecular weight of 365.61 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-cyclopentylpropyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol is sourced from PubChem (CID 45189829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).