(3R,4R)-1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol

C17H26BrN3O — CID 118263696

IUPAC(3R,4R)-1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol
SMILESCc1cnc(N2CC[C@@H](NC3CCCCC3)[C@H](O)C2)c(Br)c1
InChIInChI=1S/C17H26BrN3O/c1-12-9-14(18)17(19-10-12)21-8-7-15(16(22)11-21)20-13-5-3-2-4-6-13/h9-10,13,15-16,20,22H,2-8,11H2,1H3/t15-,16-/m1/s1
InChIKeyQVDBCLYVEDQXQR-HZPDHXFCSA-N
MW368.32 g/mol
LogP3.01
Rot. Bonds3

About (3R,4R)-1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol

(3R,4R)-1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol (PubChem CID 118263696) has the molecular formula C17H26BrN3O and a molecular weight of 368.32 g/mol. Its IUPAC name is (3R,4R)-1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol
PubChem CID118263696
Molecular FormulaC17H26BrN3O
Molecular Weight368.32 g/mol
Exact Mass367.13
IUPAC Name(3R,4R)-1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol
SMILESCc1cnc(N2CC[C@@H](NC3CCCCC3)[C@H](O)C2)c(Br)c1
InChIInChI=1S/C17H26BrN3O/c1-12-9-14(18)17(19-10-12)21-8-7-15(16(22)11-21)20-13-5-3-2-4-6-13/h9-10,13,15-16,20,22H,2-8,11H2,1H3/t15-,16-/m1/s1
InChIKeyQVDBCLYVEDQXQR-HZPDHXFCSA-N
XLogP3.01
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.32
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol?
The IUPAC name of (3R,4R)-1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol (CID 118263696) is (3R,4R)-1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol.
What is the SMILES notation for (3R,4R)-1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol?
The canonical SMILES for (3R,4R)-1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol is Cc1cnc(N2CC[C@@H](NC3CCCCC3)[C@H](O)C2)c(Br)c1.
What is the InChIKey of (3R,4R)-1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol?
The InChIKey is QVDBCLYVEDQXQR-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H26BrN3O/c1-12-9-14(18)17(19-10-12)21-8-7-15(16(22)11-21)20-13-5-3-2-4-6-13/h9-10,13,15-16,20,22H,2-8,11H2,1H3/t15-,16-/m1/s1.
What are the key properties of (3R,4R)-1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol?
(3R,4R)-1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol has a molecular weight of 368.32 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol is sourced from PubChem (CID 118263696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).