(3S)-3-[(4-chlorophenyl)methyl]-4-(1-pyridin-2-ylpiperidin-4-yl)morpholine

C21H26ClN3O — CID 168679035

IUPAC(3S)-3-[(4-chlorophenyl)methyl]-4-(1-pyridin-2-ylpiperidin-4-yl)morpholine
SMILESClc1ccc(C[C@H]2COCCN2C2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C21H26ClN3O/c22-18-6-4-17(5-7-18)15-20-16-26-14-13-25(20)19-8-11-24(12-9-19)21-3-1-2-10-23-21/h1-7,10,19-20H,8-9,11-16H2/t20-/m0/s1
InChIKeyCFXOOZVRMGVNKK-FQEVSTJZSA-N
MW371.91 g/mol
LogP3.65
Rot. Bonds4

About (3S)-3-[(4-chlorophenyl)methyl]-4-(1-pyridin-2-ylpiperidin-4-yl)morpholine

(3S)-3-[(4-chlorophenyl)methyl]-4-(1-pyridin-2-ylpiperidin-4-yl)morpholine (PubChem CID 168679035) has the molecular formula C21H26ClN3O and a molecular weight of 371.91 g/mol. Its IUPAC name is (3S)-3-[(4-chlorophenyl)methyl]-4-(1-pyridin-2-ylpiperidin-4-yl)morpholine.

Molecular Properties

Compound Name(3S)-3-[(4-chlorophenyl)methyl]-4-(1-pyridin-2-ylpiperidin-4-yl)morpholine
PubChem CID168679035
Molecular FormulaC21H26ClN3O
Molecular Weight371.91 g/mol
Exact Mass371.18
IUPAC Name(3S)-3-[(4-chlorophenyl)methyl]-4-(1-pyridin-2-ylpiperidin-4-yl)morpholine
SMILESClc1ccc(C[C@H]2COCCN2C2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C21H26ClN3O/c22-18-6-4-17(5-7-18)15-20-16-26-14-13-25(20)19-8-11-24(12-9-19)21-3-1-2-10-23-21/h1-7,10,19-20H,8-9,11-16H2/t20-/m0/s1
InChIKeyCFXOOZVRMGVNKK-FQEVSTJZSA-N
XLogP3.65
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.91
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(4-chlorophenyl)methyl]-4-(1-pyridin-2-ylpiperidin-4-yl)morpholine?
The IUPAC name of (3S)-3-[(4-chlorophenyl)methyl]-4-(1-pyridin-2-ylpiperidin-4-yl)morpholine (CID 168679035) is (3S)-3-[(4-chlorophenyl)methyl]-4-(1-pyridin-2-ylpiperidin-4-yl)morpholine.
What is the SMILES notation for (3S)-3-[(4-chlorophenyl)methyl]-4-(1-pyridin-2-ylpiperidin-4-yl)morpholine?
The canonical SMILES for (3S)-3-[(4-chlorophenyl)methyl]-4-(1-pyridin-2-ylpiperidin-4-yl)morpholine is Clc1ccc(C[C@H]2COCCN2C2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of (3S)-3-[(4-chlorophenyl)methyl]-4-(1-pyridin-2-ylpiperidin-4-yl)morpholine?
The InChIKey is CFXOOZVRMGVNKK-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H26ClN3O/c22-18-6-4-17(5-7-18)15-20-16-26-14-13-25(20)19-8-11-24(12-9-19)21-3-1-2-10-23-21/h1-7,10,19-20H,8-9,11-16H2/t20-/m0/s1.
What are the key properties of (3S)-3-[(4-chlorophenyl)methyl]-4-(1-pyridin-2-ylpiperidin-4-yl)morpholine?
(3S)-3-[(4-chlorophenyl)methyl]-4-(1-pyridin-2-ylpiperidin-4-yl)morpholine has a molecular weight of 371.91 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(4-chlorophenyl)methyl]-4-(1-pyridin-2-ylpiperidin-4-yl)morpholine is sourced from PubChem (CID 168679035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).