[1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-yl]methanol

C18H28BrN3O — CID 118263674

IUPAC[1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-yl]methanol
SMILESCc1cnc(N2CCC(NC3CCCCC3)C(CO)C2)c(Br)c1
InChIInChI=1S/C18H28BrN3O/c1-13-9-16(19)18(20-10-13)22-8-7-17(14(11-22)12-23)21-15-5-3-2-4-6-15/h9-10,14-15,17,21,23H,2-8,11-12H2,1H3
InChIKeyLHQJNXAFZZSYRV-UHFFFAOYSA-N
MW382.35 g/mol
LogP3.26
Rot. Bonds4

About [1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-yl]methanol

[1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-yl]methanol (PubChem CID 118263674) has the molecular formula C18H28BrN3O and a molecular weight of 382.35 g/mol. Its IUPAC name is [1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-yl]methanol
PubChem CID118263674
Molecular FormulaC18H28BrN3O
Molecular Weight382.35 g/mol
Exact Mass381.14
IUPAC Name[1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-yl]methanol
SMILESCc1cnc(N2CCC(NC3CCCCC3)C(CO)C2)c(Br)c1
InChIInChI=1S/C18H28BrN3O/c1-13-9-16(19)18(20-10-13)22-8-7-17(14(11-22)12-23)21-15-5-3-2-4-6-15/h9-10,14-15,17,21,23H,2-8,11-12H2,1H3
InChIKeyLHQJNXAFZZSYRV-UHFFFAOYSA-N
XLogP3.26
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.35
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-yl]methanol?
The IUPAC name of [1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-yl]methanol (CID 118263674) is [1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-yl]methanol?
The canonical SMILES for [1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-yl]methanol is Cc1cnc(N2CCC(NC3CCCCC3)C(CO)C2)c(Br)c1.
What is the InChIKey of [1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-yl]methanol?
The InChIKey is LHQJNXAFZZSYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrN3O/c1-13-9-16(19)18(20-10-13)22-8-7-17(14(11-22)12-23)21-15-5-3-2-4-6-15/h9-10,14-15,17,21,23H,2-8,11-12H2,1H3.
What are the key properties of [1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-yl]methanol?
[1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-yl]methanol has a molecular weight of 382.35 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-yl]methanol is sourced from PubChem (CID 118263674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).