2-phenyl-N-(piperidin-2-ylmethyl)-2-pyrrolidin-1-ylethanamine

C18H29N3 — CID 106632941

IUPAC2-phenyl-N-(piperidin-2-ylmethyl)-2-pyrrolidin-1-ylethanamine
SMILESc1ccc(C(CNCC2CCCCN2)N2CCCC2)cc1
InChIInChI=1S/C18H29N3/c1-2-8-16(9-3-1)18(21-12-6-7-13-21)15-19-14-17-10-4-5-11-20-17/h1-3,8-9,17-20H,4-7,10-15H2
InChIKeyRWYLOBBZLOQNHK-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.56
Rot. Bonds6

About 2-phenyl-N-(piperidin-2-ylmethyl)-2-pyrrolidin-1-ylethanamine

2-phenyl-N-(piperidin-2-ylmethyl)-2-pyrrolidin-1-ylethanamine (PubChem CID 106632941) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-phenyl-N-(piperidin-2-ylmethyl)-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound Name2-phenyl-N-(piperidin-2-ylmethyl)-2-pyrrolidin-1-ylethanamine
PubChem CID106632941
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name2-phenyl-N-(piperidin-2-ylmethyl)-2-pyrrolidin-1-ylethanamine
SMILESc1ccc(C(CNCC2CCCCN2)N2CCCC2)cc1
InChIInChI=1S/C18H29N3/c1-2-8-16(9-3-1)18(21-12-6-7-13-21)15-19-14-17-10-4-5-11-20-17/h1-3,8-9,17-20H,4-7,10-15H2
InChIKeyRWYLOBBZLOQNHK-UHFFFAOYSA-N
XLogP2.56
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119831446
2-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106636659
N-ethyl-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 43180882
N-[(2-chlorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine
CID 95731898
N-(2-phenyl-2-pyrrolidin-1-ylethyl)propan-1-amine
CID 43202060
N-(azepan-2-ylmethyl)-2,2-difluoroethanamine
CID 115407441
(1S)-1-phenyl-2-[(2S)-piperidin-2-yl]ethanol
CID 10856632
2-[(pyrrolidin-2-ylmethylamino)methyl]phenol
CID 103846509
3,3-dimethyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butan-1-amine
CID 60694080
(1S)-2-[(2R)-azepan-2-yl]-1-phenylethanol
CID 95788131
2-amino-2-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 119831373
2-phenyl-2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 60696393

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(piperidin-2-ylmethyl)-2-pyrrolidin-1-ylethanamine?
The IUPAC name of 2-phenyl-N-(piperidin-2-ylmethyl)-2-pyrrolidin-1-ylethanamine (CID 106632941) is 2-phenyl-N-(piperidin-2-ylmethyl)-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for 2-phenyl-N-(piperidin-2-ylmethyl)-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for 2-phenyl-N-(piperidin-2-ylmethyl)-2-pyrrolidin-1-ylethanamine is c1ccc(C(CNCC2CCCCN2)N2CCCC2)cc1.
What is the InChIKey of 2-phenyl-N-(piperidin-2-ylmethyl)-2-pyrrolidin-1-ylethanamine?
The InChIKey is RWYLOBBZLOQNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-2-8-16(9-3-1)18(21-12-6-7-13-21)15-19-14-17-10-4-5-11-20-17/h1-3,8-9,17-20H,4-7,10-15H2.
What are the key properties of 2-phenyl-N-(piperidin-2-ylmethyl)-2-pyrrolidin-1-ylethanamine?
2-phenyl-N-(piperidin-2-ylmethyl)-2-pyrrolidin-1-ylethanamine has a molecular weight of 287.45 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(piperidin-2-ylmethyl)-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 106632941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).