1-[(4-pyrrolidin-2-ylphenyl)methyl]piperidine

C16H24N2 — CID 58597255

IUPAC1-[(4-pyrrolidin-2-ylphenyl)methyl]piperidine
SMILESc1cc(C2CCCN2)ccc1CN1CCCCC1
InChIInChI=1S/C16H24N2/c1-2-11-18(12-3-1)13-14-6-8-15(9-7-14)16-5-4-10-17-16/h6-9,16-17H,1-5,10-13H2
InChIKeyZUILHMMIJRVTIJ-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.10
Rot. Bonds3

About 1-[(4-pyrrolidin-2-ylphenyl)methyl]piperidine

1-[(4-pyrrolidin-2-ylphenyl)methyl]piperidine (PubChem CID 58597255) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-[(4-pyrrolidin-2-ylphenyl)methyl]piperidine.

Molecular Properties

Compound Name1-[(4-pyrrolidin-2-ylphenyl)methyl]piperidine
PubChem CID58597255
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-[(4-pyrrolidin-2-ylphenyl)methyl]piperidine
SMILESc1cc(C2CCCN2)ccc1CN1CCCCC1
InChIInChI=1S/C16H24N2/c1-2-11-18(12-3-1)13-14-6-8-15(9-7-14)16-5-4-10-17-16/h6-9,16-17H,1-5,10-13H2
InChIKeyZUILHMMIJRVTIJ-UHFFFAOYSA-N
XLogP3.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-pyrrolidin-2-ylphenyl)methyl]piperazine
CID 117366264
1-[(2-fluoro-4-pyrrolidin-2-ylphenyl)methyl]piperidine
CID 117411013
1-[(2-chloro-4-piperidin-2-ylphenyl)methyl]piperidine
CID 117472785
(2R)-2-(4-benzylphenyl)pyrrolidine
CID 66519680
1-(4-pyrrolidin-2-ylphenyl)pyrrolidine;hydrochloride
CID 163230247
(2S)-2-(4-chlorophenyl)pyrrolidine
CID 7009380
(2S)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119836228
4-(azacyclododec-1-ylmethyl)aniline
CID 70405299
2-methyl-4-(4-pyrrolidin-2-ylphenyl)butan-2-ol
CID 117116746
1-[(2-piperidin-2-ylphenyl)methyl]piperidine
CID 117400046
2-(4-chlorophenyl)pyrrolidine;ethane
CID 177172941
(2R)-2-(4-methylphenyl)pyrrolidine
CID 7047871

Frequently Asked Questions

What is the IUPAC name of 1-[(4-pyrrolidin-2-ylphenyl)methyl]piperidine?
The IUPAC name of 1-[(4-pyrrolidin-2-ylphenyl)methyl]piperidine (CID 58597255) is 1-[(4-pyrrolidin-2-ylphenyl)methyl]piperidine.
What is the SMILES notation for 1-[(4-pyrrolidin-2-ylphenyl)methyl]piperidine?
The canonical SMILES for 1-[(4-pyrrolidin-2-ylphenyl)methyl]piperidine is c1cc(C2CCCN2)ccc1CN1CCCCC1.
What is the InChIKey of 1-[(4-pyrrolidin-2-ylphenyl)methyl]piperidine?
The InChIKey is ZUILHMMIJRVTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-2-11-18(12-3-1)13-14-6-8-15(9-7-14)16-5-4-10-17-16/h6-9,16-17H,1-5,10-13H2.
What are the key properties of 1-[(4-pyrrolidin-2-ylphenyl)methyl]piperidine?
1-[(4-pyrrolidin-2-ylphenyl)methyl]piperidine has a molecular weight of 244.38 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-pyrrolidin-2-ylphenyl)methyl]piperidine is sourced from PubChem (CID 58597255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).