(2R)-2-(4-chlorophenyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]morpholine

C19H29ClN2O — CID 95468961

IUPAC(2R)-2-(4-chlorophenyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]morpholine
SMILESCC(C)N1CCC(CN2CCO[C@H](c3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C19H29ClN2O/c1-15(2)22-9-7-16(8-10-22)13-21-11-12-23-19(14-21)17-3-5-18(20)6-4-17/h3-6,15-16,19H,7-14H2,1-2H3/t19-/m0/s1
InChIKeyASMMIGBIDVQHHK-IBGZPJMESA-N
MW336.91 g/mol
LogP3.83
Rot. Bonds4

About (2R)-2-(4-chlorophenyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]morpholine

(2R)-2-(4-chlorophenyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]morpholine (PubChem CID 95468961) has the molecular formula C19H29ClN2O and a molecular weight of 336.91 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]morpholine.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]morpholine
PubChem CID95468961
Molecular FormulaC19H29ClN2O
Molecular Weight336.91 g/mol
Exact Mass336.20
IUPAC Name(2R)-2-(4-chlorophenyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]morpholine
SMILESCC(C)N1CCC(CN2CCO[C@H](c3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C19H29ClN2O/c1-15(2)22-9-7-16(8-10-22)13-21-11-12-23-19(14-21)17-3-5-18(20)6-4-17/h3-6,15-16,19H,7-14H2,1-2H3/t19-/m0/s1
InChIKeyASMMIGBIDVQHHK-IBGZPJMESA-N
XLogP3.83
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.91
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]morpholine?
The IUPAC name of (2R)-2-(4-chlorophenyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]morpholine (CID 95468961) is (2R)-2-(4-chlorophenyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]morpholine.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]morpholine?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]morpholine is CC(C)N1CCC(CN2CCO[C@H](c3ccc(Cl)cc3)C2)CC1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]morpholine?
The InChIKey is ASMMIGBIDVQHHK-IBGZPJMESA-N. The full InChI is InChI=1S/C19H29ClN2O/c1-15(2)22-9-7-16(8-10-22)13-21-11-12-23-19(14-21)17-3-5-18(20)6-4-17/h3-6,15-16,19H,7-14H2,1-2H3/t19-/m0/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]morpholine?
(2R)-2-(4-chlorophenyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]morpholine has a molecular weight of 336.91 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]morpholine is sourced from PubChem (CID 95468961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).