N-benzyl-1-methyl-N-phenylpiperidin-4-amine;2-hydroxypropanoic acid

C22H30N2O3 — CID 11462853

IUPACN-benzyl-1-methyl-N-phenylpiperidin-4-amine;2-hydroxypropanoic acid
SMILESCC(O)C(=O)O.CN1CCC(N(Cc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C19H24N2.C3H6O3/c1-20-14-12-19(13-15-20)21(18-10-6-3-7-11-18)16-17-8-4-2-5-9-17;1-2(4)3(5)6/h2-11,19H,12-16H2,1H3;2,4H,1H3,(H,5,6)
InChIKeyVUNFQOFEWHEROV-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.24
Rot. Bonds5

About N-benzyl-1-methyl-N-phenylpiperidin-4-amine;2-hydroxypropanoic acid

N-benzyl-1-methyl-N-phenylpiperidin-4-amine;2-hydroxypropanoic acid (PubChem CID 11462853) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is N-benzyl-1-methyl-N-phenylpiperidin-4-amine;2-hydroxypropanoic acid.

Molecular Properties

Compound NameN-benzyl-1-methyl-N-phenylpiperidin-4-amine;2-hydroxypropanoic acid
PubChem CID11462853
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC NameN-benzyl-1-methyl-N-phenylpiperidin-4-amine;2-hydroxypropanoic acid
SMILESCC(O)C(=O)O.CN1CCC(N(Cc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C19H24N2.C3H6O3/c1-20-14-12-19(13-15-20)21(18-10-6-3-7-11-18)16-17-8-4-2-5-9-17;1-2(4)3(5)6/h2-11,19H,12-16H2,1H3;2,4H,1H3,(H,5,6)
InChIKeyVUNFQOFEWHEROV-UHFFFAOYSA-N
XLogP3.24
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-methyl-N-phenylpiperidin-4-amine;2-hydroxypropanoic acid?
The IUPAC name of N-benzyl-1-methyl-N-phenylpiperidin-4-amine;2-hydroxypropanoic acid (CID 11462853) is N-benzyl-1-methyl-N-phenylpiperidin-4-amine;2-hydroxypropanoic acid.
What is the SMILES notation for N-benzyl-1-methyl-N-phenylpiperidin-4-amine;2-hydroxypropanoic acid?
The canonical SMILES for N-benzyl-1-methyl-N-phenylpiperidin-4-amine;2-hydroxypropanoic acid is CC(O)C(=O)O.CN1CCC(N(Cc2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-benzyl-1-methyl-N-phenylpiperidin-4-amine;2-hydroxypropanoic acid?
The InChIKey is VUNFQOFEWHEROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2.C3H6O3/c1-20-14-12-19(13-15-20)21(18-10-6-3-7-11-18)16-17-8-4-2-5-9-17;1-2(4)3(5)6/h2-11,19H,12-16H2,1H3;2,4H,1H3,(H,5,6).
What are the key properties of N-benzyl-1-methyl-N-phenylpiperidin-4-amine;2-hydroxypropanoic acid?
N-benzyl-1-methyl-N-phenylpiperidin-4-amine;2-hydroxypropanoic acid has a molecular weight of 370.49 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-methyl-N-phenylpiperidin-4-amine;2-hydroxypropanoic acid is sourced from PubChem (CID 11462853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).