1-[(4-chlorophenyl)methoxy]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride

C19H25Cl2N3O2 — CID 12006007

IUPAC1-[(4-chlorophenyl)methoxy]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride
SMILESCl.OC(COCc1ccc(Cl)cc1)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H24ClN3O2.ClH/c20-17-6-4-16(5-7-17)14-25-15-18(24)13-22-9-11-23(12-10-22)19-3-1-2-8-21-19;/h1-8,18,24H,9-15H2;1H
InChIKeyDYDHPMLQKVXWHF-UHFFFAOYSA-N
MW398.33 g/mol
LogP2.86
Rot. Bonds7

About 1-[(4-chlorophenyl)methoxy]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride

1-[(4-chlorophenyl)methoxy]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride (PubChem CID 12006007) has the molecular formula C19H25Cl2N3O2 and a molecular weight of 398.33 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methoxy]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methoxy]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride
PubChem CID12006007
Molecular FormulaC19H25Cl2N3O2
Molecular Weight398.33 g/mol
Exact Mass397.13
IUPAC Name1-[(4-chlorophenyl)methoxy]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride
SMILESCl.OC(COCc1ccc(Cl)cc1)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H24ClN3O2.ClH/c20-17-6-4-16(5-7-17)14-25-15-18(24)13-22-9-11-23(12-10-22)19-3-1-2-8-21-19;/h1-8,18,24H,9-15H2;1H
InChIKeyDYDHPMLQKVXWHF-UHFFFAOYSA-N
XLogP2.86
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methoxy]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride?
The IUPAC name of 1-[(4-chlorophenyl)methoxy]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride (CID 12006007) is 1-[(4-chlorophenyl)methoxy]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-[(4-chlorophenyl)methoxy]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride?
The canonical SMILES for 1-[(4-chlorophenyl)methoxy]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride is Cl.OC(COCc1ccc(Cl)cc1)CN1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)methoxy]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride?
The InChIKey is DYDHPMLQKVXWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2.ClH/c20-17-6-4-16(5-7-17)14-25-15-18(24)13-22-9-11-23(12-10-22)19-3-1-2-8-21-19;/h1-8,18,24H,9-15H2;1H.
What are the key properties of 1-[(4-chlorophenyl)methoxy]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride?
1-[(4-chlorophenyl)methoxy]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride has a molecular weight of 398.33 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methoxy]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride is sourced from PubChem (CID 12006007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).