N,N-dimethyl-1-[2-methyl-3-(methylamino)-2-phenylpropyl]piperidin-4-amine

C18H31N3 — CID 62257862

IUPACN,N-dimethyl-1-[2-methyl-3-(methylamino)-2-phenylpropyl]piperidin-4-amine
SMILESCNCC(C)(CN1CCC(N(C)C)CC1)c1ccccc1
InChIInChI=1S/C18H31N3/c1-18(14-19-2,16-8-6-5-7-9-16)15-21-12-10-17(11-13-21)20(3)4/h5-9,17,19H,10-15H2,1-4H3
InChIKeyGVIXPFYBICDZAH-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.19
Rot. Bonds6

About N,N-dimethyl-1-[2-methyl-3-(methylamino)-2-phenylpropyl]piperidin-4-amine

N,N-dimethyl-1-[2-methyl-3-(methylamino)-2-phenylpropyl]piperidin-4-amine (PubChem CID 62257862) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-methyl-3-(methylamino)-2-phenylpropyl]piperidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-methyl-3-(methylamino)-2-phenylpropyl]piperidin-4-amine
PubChem CID62257862
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN,N-dimethyl-1-[2-methyl-3-(methylamino)-2-phenylpropyl]piperidin-4-amine
SMILESCNCC(C)(CN1CCC(N(C)C)CC1)c1ccccc1
InChIInChI=1S/C18H31N3/c1-18(14-19-2,16-8-6-5-7-9-16)15-21-12-10-17(11-13-21)20(3)4/h5-9,17,19H,10-15H2,1-4H3
InChIKeyGVIXPFYBICDZAH-UHFFFAOYSA-N
XLogP2.19
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-methyl-3-(methylamino)-2-phenylpropyl]piperidin-4-amine?
The IUPAC name of N,N-dimethyl-1-[2-methyl-3-(methylamino)-2-phenylpropyl]piperidin-4-amine (CID 62257862) is N,N-dimethyl-1-[2-methyl-3-(methylamino)-2-phenylpropyl]piperidin-4-amine.
What is the SMILES notation for N,N-dimethyl-1-[2-methyl-3-(methylamino)-2-phenylpropyl]piperidin-4-amine?
The canonical SMILES for N,N-dimethyl-1-[2-methyl-3-(methylamino)-2-phenylpropyl]piperidin-4-amine is CNCC(C)(CN1CCC(N(C)C)CC1)c1ccccc1.
What is the InChIKey of N,N-dimethyl-1-[2-methyl-3-(methylamino)-2-phenylpropyl]piperidin-4-amine?
The InChIKey is GVIXPFYBICDZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-18(14-19-2,16-8-6-5-7-9-16)15-21-12-10-17(11-13-21)20(3)4/h5-9,17,19H,10-15H2,1-4H3.
What are the key properties of N,N-dimethyl-1-[2-methyl-3-(methylamino)-2-phenylpropyl]piperidin-4-amine?
N,N-dimethyl-1-[2-methyl-3-(methylamino)-2-phenylpropyl]piperidin-4-amine has a molecular weight of 289.47 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-methyl-3-(methylamino)-2-phenylpropyl]piperidin-4-amine is sourced from PubChem (CID 62257862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).