3-[[(1-cyclopentylpiperidin-4-yl)methyl-(oxolan-2-ylmethyl)amino]methyl]phenol

C23H36N2O2 — CID 45212640

IUPAC3-[[(1-cyclopentylpiperidin-4-yl)methyl-(oxolan-2-ylmethyl)amino]methyl]phenol
SMILESOc1cccc(CN(CC2CCN(C3CCCC3)CC2)CC2CCCO2)c1
InChIInChI=1S/C23H36N2O2/c26-22-8-3-5-20(15-22)17-24(18-23-9-4-14-27-23)16-19-10-12-25(13-11-19)21-6-1-2-7-21/h3,5,8,15,19,21,23,26H,1-2,4,6-7,9-14,16-18H2
InChIKeyDTTVMVKBASCNSE-UHFFFAOYSA-N
MW372.55 g/mol
LogP4.03
Rot. Bonds7

About 3-[[(1-cyclopentylpiperidin-4-yl)methyl-(oxolan-2-ylmethyl)amino]methyl]phenol

3-[[(1-cyclopentylpiperidin-4-yl)methyl-(oxolan-2-ylmethyl)amino]methyl]phenol (PubChem CID 45212640) has the molecular formula C23H36N2O2 and a molecular weight of 372.55 g/mol. Its IUPAC name is 3-[[(1-cyclopentylpiperidin-4-yl)methyl-(oxolan-2-ylmethyl)amino]methyl]phenol.

Molecular Properties

Compound Name3-[[(1-cyclopentylpiperidin-4-yl)methyl-(oxolan-2-ylmethyl)amino]methyl]phenol
PubChem CID45212640
Molecular FormulaC23H36N2O2
Molecular Weight372.55 g/mol
Exact Mass372.28
IUPAC Name3-[[(1-cyclopentylpiperidin-4-yl)methyl-(oxolan-2-ylmethyl)amino]methyl]phenol
SMILESOc1cccc(CN(CC2CCN(C3CCCC3)CC2)CC2CCCO2)c1
InChIInChI=1S/C23H36N2O2/c26-22-8-3-5-20(15-22)17-24(18-23-9-4-14-27-23)16-19-10-12-25(13-11-19)21-6-1-2-7-21/h3,5,8,15,19,21,23,26H,1-2,4,6-7,9-14,16-18H2
InChIKeyDTTVMVKBASCNSE-UHFFFAOYSA-N
XLogP4.03
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.55
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-[[(1-cyclopentylpiperidin-4-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]phenol
CID 95215651
1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)methanamine
CID 45198131
1-(1-cyclopentylpiperidin-4-yl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)methanamine
CID 45219091
1-(1-cyclopentylpiperidin-4-yl)-N-[(2-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine
CID 42567645
3-[[cyclobutylmethyl(oxolan-2-ylmethyl)amino]methyl]benzoic acid
CID 122560301
3-[[1,3-benzodioxol-5-ylmethyl(oxolan-2-ylmethyl)amino]methyl]phenol
CID 43818588
1-(1-cyclopentylpiperidin-4-yl)-N-[(2,4-dimethoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine
CID 25452111
1-(1-cyclopentylpiperidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]methanamine
CID 42212073
1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]methanamine
CID 56722271
1-[3-[[[1-(2-methoxyethyl)piperidin-4-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]phenyl]ethanone
CID 42242104
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-thiophen-3-ylacetamide
CID 42463207
1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]methanamine
CID 45205988

Frequently Asked Questions

What is the IUPAC name of 3-[[(1-cyclopentylpiperidin-4-yl)methyl-(oxolan-2-ylmethyl)amino]methyl]phenol?
The IUPAC name of 3-[[(1-cyclopentylpiperidin-4-yl)methyl-(oxolan-2-ylmethyl)amino]methyl]phenol (CID 45212640) is 3-[[(1-cyclopentylpiperidin-4-yl)methyl-(oxolan-2-ylmethyl)amino]methyl]phenol.
What is the SMILES notation for 3-[[(1-cyclopentylpiperidin-4-yl)methyl-(oxolan-2-ylmethyl)amino]methyl]phenol?
The canonical SMILES for 3-[[(1-cyclopentylpiperidin-4-yl)methyl-(oxolan-2-ylmethyl)amino]methyl]phenol is Oc1cccc(CN(CC2CCN(C3CCCC3)CC2)CC2CCCO2)c1.
What is the InChIKey of 3-[[(1-cyclopentylpiperidin-4-yl)methyl-(oxolan-2-ylmethyl)amino]methyl]phenol?
The InChIKey is DTTVMVKBASCNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O2/c26-22-8-3-5-20(15-22)17-24(18-23-9-4-14-27-23)16-19-10-12-25(13-11-19)21-6-1-2-7-21/h3,5,8,15,19,21,23,26H,1-2,4,6-7,9-14,16-18H2.
What are the key properties of 3-[[(1-cyclopentylpiperidin-4-yl)methyl-(oxolan-2-ylmethyl)amino]methyl]phenol?
3-[[(1-cyclopentylpiperidin-4-yl)methyl-(oxolan-2-ylmethyl)amino]methyl]phenol has a molecular weight of 372.55 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-cyclopentylpiperidin-4-yl)methyl-(oxolan-2-ylmethyl)amino]methyl]phenol is sourced from PubChem (CID 45212640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).