N-(1-benzylpiperidin-4-yl)-6-chloro-4-(2,4,6-trimethylphenoxy)pyridin-2-amine

C26H30ClN3O — CID 134155149

IUPACN-(1-benzylpiperidin-4-yl)-6-chloro-4-(2,4,6-trimethylphenoxy)pyridin-2-amine
SMILESCc1cc(C)c(Oc2cc(Cl)nc(NC3CCN(Cc4ccccc4)CC3)c2)c(C)c1
InChIInChI=1S/C26H30ClN3O/c1-18-13-19(2)26(20(3)14-18)31-23-15-24(27)29-25(16-23)28-22-9-11-30(12-10-22)17-21-7-5-4-6-8-21/h4-8,13-16,22H,9-12,17H2,1-3H3,(H,28,29)
InChIKeyQIOCZHLRPGEWSZ-UHFFFAOYSA-N
MW436.00 g/mol
LogP6.53
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-6-chloro-4-(2,4,6-trimethylphenoxy)pyridin-2-amine

N-(1-benzylpiperidin-4-yl)-6-chloro-4-(2,4,6-trimethylphenoxy)pyridin-2-amine (PubChem CID 134155149) has the molecular formula C26H30ClN3O and a molecular weight of 436.00 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-6-chloro-4-(2,4,6-trimethylphenoxy)pyridin-2-amine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-6-chloro-4-(2,4,6-trimethylphenoxy)pyridin-2-amine
PubChem CID134155149
Molecular FormulaC26H30ClN3O
Molecular Weight436.00 g/mol
Exact Mass435.21
IUPAC NameN-(1-benzylpiperidin-4-yl)-6-chloro-4-(2,4,6-trimethylphenoxy)pyridin-2-amine
SMILESCc1cc(C)c(Oc2cc(Cl)nc(NC3CCN(Cc4ccccc4)CC3)c2)c(C)c1
InChIInChI=1S/C26H30ClN3O/c1-18-13-19(2)26(20(3)14-18)31-23-15-24(27)29-25(16-23)28-22-9-11-30(12-10-22)17-21-7-5-4-6-8-21/h4-8,13-16,22H,9-12,17H2,1-3H3,(H,28,29)
InChIKeyQIOCZHLRPGEWSZ-UHFFFAOYSA-N
XLogP6.53
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.00
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-6-chloro-4-(2,4,6-trimethylphenoxy)pyridin-2-amine?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-6-chloro-4-(2,4,6-trimethylphenoxy)pyridin-2-amine (CID 134155149) is N-(1-benzylpiperidin-4-yl)-6-chloro-4-(2,4,6-trimethylphenoxy)pyridin-2-amine.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-6-chloro-4-(2,4,6-trimethylphenoxy)pyridin-2-amine?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-6-chloro-4-(2,4,6-trimethylphenoxy)pyridin-2-amine is Cc1cc(C)c(Oc2cc(Cl)nc(NC3CCN(Cc4ccccc4)CC3)c2)c(C)c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-6-chloro-4-(2,4,6-trimethylphenoxy)pyridin-2-amine?
The InChIKey is QIOCZHLRPGEWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN3O/c1-18-13-19(2)26(20(3)14-18)31-23-15-24(27)29-25(16-23)28-22-9-11-30(12-10-22)17-21-7-5-4-6-8-21/h4-8,13-16,22H,9-12,17H2,1-3H3,(H,28,29).
What are the key properties of N-(1-benzylpiperidin-4-yl)-6-chloro-4-(2,4,6-trimethylphenoxy)pyridin-2-amine?
N-(1-benzylpiperidin-4-yl)-6-chloro-4-(2,4,6-trimethylphenoxy)pyridin-2-amine has a molecular weight of 436.00 g/mol, XLogP of 6.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-6-chloro-4-(2,4,6-trimethylphenoxy)pyridin-2-amine is sourced from PubChem (CID 134155149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).