4-[[(3-chlorophenyl)methylamino]methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol

C19H23ClN2O3 — CID 118747717

IUPAC4-[[(3-chlorophenyl)methylamino]methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol
SMILESOC1CC(CNCc2cccc(Cl)c2)(COc2cccnc2)CC1O
InChIInChI=1S/C19H23ClN2O3/c20-15-4-1-3-14(7-15)10-22-12-19(8-17(23)18(24)9-19)13-25-16-5-2-6-21-11-16/h1-7,11,17-18,22-24H,8-10,12-13H2
InChIKeyQMFHRRPHNIWWGO-UHFFFAOYSA-N
MW362.86 g/mol
LogP2.41
Rot. Bonds7

About 4-[[(3-chlorophenyl)methylamino]methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol

4-[[(3-chlorophenyl)methylamino]methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol (PubChem CID 118747717) has the molecular formula C19H23ClN2O3 and a molecular weight of 362.86 g/mol. Its IUPAC name is 4-[[(3-chlorophenyl)methylamino]methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol.

Molecular Properties

Compound Name4-[[(3-chlorophenyl)methylamino]methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol
PubChem CID118747717
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC Name4-[[(3-chlorophenyl)methylamino]methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol
SMILESOC1CC(CNCc2cccc(Cl)c2)(COc2cccnc2)CC1O
InChIInChI=1S/C19H23ClN2O3/c20-15-4-1-3-14(7-15)10-22-12-19(8-17(23)18(24)9-19)13-25-16-5-2-6-21-11-16/h1-7,11,17-18,22-24H,8-10,12-13H2
InChIKeyQMFHRRPHNIWWGO-UHFFFAOYSA-N
XLogP2.41
TPSA74.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(1S,2R)-4-[(oxan-4-ylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol;dihydrochloride
CID 146119514
N-[[3,4-dihydroxy-1-(pyridin-3-yloxymethyl)cyclopentyl]methyl]pyrazine-2-carboxamide
CID 163045429
4-[(dimethylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol
CID 162796182
N-[[(3R,4S)-3,4-dihydroxy-1-(pyridin-3-yloxymethyl)cyclopentyl]methyl]-1,2-oxazole-5-carboxamide
CID 75368049
cis-(1R,2S)-4-(2-methoxyethoxymethyl)-4-[[(3-methoxyphenyl)methylamino]methyl]cyclopentane-1,2-diol;hydrochloride
CID 127021192
[1-[[(3-chlorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 113293650
N-[(3,5-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine
CID 54803200
2-(3-chlorophenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
CID 58349292
N-[(1-ethylcyclopropyl)methyl]-1-pyridin-3-ylmethanamine
CID 103735457
1-[[1-(bromomethyl)cyclobutyl]methoxy]-3-chlorobenzene
CID 65007522
1-[[(3-chlorophenyl)methylamino]methyl]-N,N-dimethylcyclohexan-1-amine
CID 28530508
3-[[[1-[(3-chlorophenyl)methyl]cyclopropyl]methylamino]methyl]benzoic acid
CID 122035324

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-chlorophenyl)methylamino]methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol?
The IUPAC name of 4-[[(3-chlorophenyl)methylamino]methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol (CID 118747717) is 4-[[(3-chlorophenyl)methylamino]methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol.
What is the SMILES notation for 4-[[(3-chlorophenyl)methylamino]methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol?
The canonical SMILES for 4-[[(3-chlorophenyl)methylamino]methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol is OC1CC(CNCc2cccc(Cl)c2)(COc2cccnc2)CC1O.
What is the InChIKey of 4-[[(3-chlorophenyl)methylamino]methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol?
The InChIKey is QMFHRRPHNIWWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3/c20-15-4-1-3-14(7-15)10-22-12-19(8-17(23)18(24)9-19)13-25-16-5-2-6-21-11-16/h1-7,11,17-18,22-24H,8-10,12-13H2.
What are the key properties of 4-[[(3-chlorophenyl)methylamino]methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol?
4-[[(3-chlorophenyl)methylamino]methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol has a molecular weight of 362.86 g/mol, XLogP of 2.41, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-chlorophenyl)methylamino]methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol is sourced from PubChem (CID 118747717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).