1-[2-[(5-chloro-1-methylimidazol-2-yl)methylamino]phenyl]piperidin-4-ol

C16H21ClN4O — CID 111778083

IUPAC1-[2-[(5-chloro-1-methylimidazol-2-yl)methylamino]phenyl]piperidin-4-ol
SMILESCn1c(Cl)cnc1CNc1ccccc1N1CCC(O)CC1
InChIInChI=1S/C16H21ClN4O/c1-20-15(17)10-19-16(20)11-18-13-4-2-3-5-14(13)21-8-6-12(22)7-9-21/h2-5,10,12,18,22H,6-9,11H2,1H3
InChIKeyVZLGWVHVMJGQME-UHFFFAOYSA-N
MW320.82 g/mol
LogP2.65
Rot. Bonds4

About 1-[2-[(5-chloro-1-methylimidazol-2-yl)methylamino]phenyl]piperidin-4-ol

1-[2-[(5-chloro-1-methylimidazol-2-yl)methylamino]phenyl]piperidin-4-ol (PubChem CID 111778083) has the molecular formula C16H21ClN4O and a molecular weight of 320.82 g/mol. Its IUPAC name is 1-[2-[(5-chloro-1-methylimidazol-2-yl)methylamino]phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-[(5-chloro-1-methylimidazol-2-yl)methylamino]phenyl]piperidin-4-ol
PubChem CID111778083
Molecular FormulaC16H21ClN4O
Molecular Weight320.82 g/mol
Exact Mass320.14
IUPAC Name1-[2-[(5-chloro-1-methylimidazol-2-yl)methylamino]phenyl]piperidin-4-ol
SMILESCn1c(Cl)cnc1CNc1ccccc1N1CCC(O)CC1
InChIInChI=1S/C16H21ClN4O/c1-20-15(17)10-19-16(20)11-18-13-4-2-3-5-14(13)21-8-6-12(22)7-9-21/h2-5,10,12,18,22H,6-9,11H2,1H3
InChIKeyVZLGWVHVMJGQME-UHFFFAOYSA-N
XLogP2.65
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-chloro-1-methylimidazol-2-yl)methylamino]phenyl]piperidin-4-ol?
The IUPAC name of 1-[2-[(5-chloro-1-methylimidazol-2-yl)methylamino]phenyl]piperidin-4-ol (CID 111778083) is 1-[2-[(5-chloro-1-methylimidazol-2-yl)methylamino]phenyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-[(5-chloro-1-methylimidazol-2-yl)methylamino]phenyl]piperidin-4-ol?
The canonical SMILES for 1-[2-[(5-chloro-1-methylimidazol-2-yl)methylamino]phenyl]piperidin-4-ol is Cn1c(Cl)cnc1CNc1ccccc1N1CCC(O)CC1.
What is the InChIKey of 1-[2-[(5-chloro-1-methylimidazol-2-yl)methylamino]phenyl]piperidin-4-ol?
The InChIKey is VZLGWVHVMJGQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O/c1-20-15(17)10-19-16(20)11-18-13-4-2-3-5-14(13)21-8-6-12(22)7-9-21/h2-5,10,12,18,22H,6-9,11H2,1H3.
What are the key properties of 1-[2-[(5-chloro-1-methylimidazol-2-yl)methylamino]phenyl]piperidin-4-ol?
1-[2-[(5-chloro-1-methylimidazol-2-yl)methylamino]phenyl]piperidin-4-ol has a molecular weight of 320.82 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-chloro-1-methylimidazol-2-yl)methylamino]phenyl]piperidin-4-ol is sourced from PubChem (CID 111778083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).