N-methyl-1-(2-phenylethyl)-N-pyrrolidin-3-ylpiperidin-4-amine

C18H29N3 — CID 63298235

IUPACN-methyl-1-(2-phenylethyl)-N-pyrrolidin-3-ylpiperidin-4-amine
SMILESCN(C1CCN(CCc2ccccc2)CC1)C1CCNC1
InChIInChI=1S/C18H29N3/c1-20(18-7-11-19-15-18)17-9-13-21(14-10-17)12-8-16-5-3-2-4-6-16/h2-6,17-19H,7-15H2,1H3
InChIKeySTJRMPHEMDSPES-UHFFFAOYSA-N
MW287.45 g/mol
LogP1.99
Rot. Bonds5

About N-methyl-1-(2-phenylethyl)-N-pyrrolidin-3-ylpiperidin-4-amine

N-methyl-1-(2-phenylethyl)-N-pyrrolidin-3-ylpiperidin-4-amine (PubChem CID 63298235) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-methyl-1-(2-phenylethyl)-N-pyrrolidin-3-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-methyl-1-(2-phenylethyl)-N-pyrrolidin-3-ylpiperidin-4-amine
PubChem CID63298235
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN-methyl-1-(2-phenylethyl)-N-pyrrolidin-3-ylpiperidin-4-amine
SMILESCN(C1CCN(CCc2ccccc2)CC1)C1CCNC1
InChIInChI=1S/C18H29N3/c1-20(18-7-11-19-15-18)17-9-13-21(14-10-17)12-8-16-5-3-2-4-6-16/h2-6,17-19H,7-15H2,1H3
InChIKeySTJRMPHEMDSPES-UHFFFAOYSA-N
XLogP1.99
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-phenylethyl)-N-pyrrolidin-3-ylpiperidin-4-amine?
The IUPAC name of N-methyl-1-(2-phenylethyl)-N-pyrrolidin-3-ylpiperidin-4-amine (CID 63298235) is N-methyl-1-(2-phenylethyl)-N-pyrrolidin-3-ylpiperidin-4-amine.
What is the SMILES notation for N-methyl-1-(2-phenylethyl)-N-pyrrolidin-3-ylpiperidin-4-amine?
The canonical SMILES for N-methyl-1-(2-phenylethyl)-N-pyrrolidin-3-ylpiperidin-4-amine is CN(C1CCN(CCc2ccccc2)CC1)C1CCNC1.
What is the InChIKey of N-methyl-1-(2-phenylethyl)-N-pyrrolidin-3-ylpiperidin-4-amine?
The InChIKey is STJRMPHEMDSPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-20(18-7-11-19-15-18)17-9-13-21(14-10-17)12-8-16-5-3-2-4-6-16/h2-6,17-19H,7-15H2,1H3.
What are the key properties of N-methyl-1-(2-phenylethyl)-N-pyrrolidin-3-ylpiperidin-4-amine?
N-methyl-1-(2-phenylethyl)-N-pyrrolidin-3-ylpiperidin-4-amine has a molecular weight of 287.45 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-phenylethyl)-N-pyrrolidin-3-ylpiperidin-4-amine is sourced from PubChem (CID 63298235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).