1-[(3-chlorophenyl)methoxy]-3-piperazin-1-ylpropan-2-ol

C14H21ClN2O2 — CID 65447764

IUPAC1-[(3-chlorophenyl)methoxy]-3-piperazin-1-ylpropan-2-ol
SMILESOC(COCc1cccc(Cl)c1)CN1CCNCC1
InChIInChI=1S/C14H21ClN2O2/c15-13-3-1-2-12(8-13)10-19-11-14(18)9-17-6-4-16-5-7-17/h1-3,8,14,16,18H,4-7,9-11H2
InChIKeyPUMSOOQZGCNJLD-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.12
Rot. Bonds6

About 1-[(3-chlorophenyl)methoxy]-3-piperazin-1-ylpropan-2-ol

1-[(3-chlorophenyl)methoxy]-3-piperazin-1-ylpropan-2-ol (PubChem CID 65447764) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methoxy]-3-piperazin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methoxy]-3-piperazin-1-ylpropan-2-ol
PubChem CID65447764
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name1-[(3-chlorophenyl)methoxy]-3-piperazin-1-ylpropan-2-ol
SMILESOC(COCc1cccc(Cl)c1)CN1CCNCC1
InChIInChI=1S/C14H21ClN2O2/c15-13-3-1-2-12(8-13)10-19-11-14(18)9-17-6-4-16-5-7-17/h1-3,8,14,16,18H,4-7,9-11H2
InChIKeyPUMSOOQZGCNJLD-UHFFFAOYSA-N
XLogP1.12
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol
CID 740501
1-(4-benzylpiperazin-1-yl)-3-[(4-chlorophenyl)methoxy]propan-2-ol dichloride
CID 21237584
1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 53346846
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol
CID 2769742
N-[(3-chlorophenyl)methyl]-1-piperazin-1-ylpropan-2-amine
CID 91802765
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol chloride
CID 21236635
1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylmethoxypropan-2-ol
CID 60768507
1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-one
CID 95357977
1-(2-hydroxy-3-phenylmethoxypropyl)piperidin-4-ol
CID 60632394
1-[(2R)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-ol
CID 95232047
(2S)-1-(4-chlorophenoxy)-3-(1,4-diazepan-1-yl)propan-2-ol
CID 95067055
1-(3-methylphenoxy)-3-piperazin-1-ylpropan-2-ol
CID 3095128

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methoxy]-3-piperazin-1-ylpropan-2-ol?
The IUPAC name of 1-[(3-chlorophenyl)methoxy]-3-piperazin-1-ylpropan-2-ol (CID 65447764) is 1-[(3-chlorophenyl)methoxy]-3-piperazin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[(3-chlorophenyl)methoxy]-3-piperazin-1-ylpropan-2-ol?
The canonical SMILES for 1-[(3-chlorophenyl)methoxy]-3-piperazin-1-ylpropan-2-ol is OC(COCc1cccc(Cl)c1)CN1CCNCC1.
What is the InChIKey of 1-[(3-chlorophenyl)methoxy]-3-piperazin-1-ylpropan-2-ol?
The InChIKey is PUMSOOQZGCNJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c15-13-3-1-2-12(8-13)10-19-11-14(18)9-17-6-4-16-5-7-17/h1-3,8,14,16,18H,4-7,9-11H2.
What are the key properties of 1-[(3-chlorophenyl)methoxy]-3-piperazin-1-ylpropan-2-ol?
1-[(3-chlorophenyl)methoxy]-3-piperazin-1-ylpropan-2-ol has a molecular weight of 284.79 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methoxy]-3-piperazin-1-ylpropan-2-ol is sourced from PubChem (CID 65447764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).