4-[(4-pyrrolidin-3-ylphenyl)methyl]piperidine

C16H24N2 — CID 116988438

IUPAC4-[(4-pyrrolidin-3-ylphenyl)methyl]piperidine
SMILESc1cc(C2CCNC2)ccc1CC1CCNCC1
InChIInChI=1S/C16H24N2/c1-3-15(16-7-10-18-12-16)4-2-13(1)11-14-5-8-17-9-6-14/h1-4,14,16-18H,5-12H2
InChIKeyQFFCJSCDJSUVKX-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.31
Rot. Bonds3

About 4-[(4-pyrrolidin-3-ylphenyl)methyl]piperidine

4-[(4-pyrrolidin-3-ylphenyl)methyl]piperidine (PubChem CID 116988438) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 4-[(4-pyrrolidin-3-ylphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[(4-pyrrolidin-3-ylphenyl)methyl]piperidine
PubChem CID116988438
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name4-[(4-pyrrolidin-3-ylphenyl)methyl]piperidine
SMILESc1cc(C2CCNC2)ccc1CC1CCNCC1
InChIInChI=1S/C16H24N2/c1-3-15(16-7-10-18-12-16)4-2-13(1)11-14-5-8-17-9-6-14/h1-4,14,16-18H,5-12H2
InChIKeyQFFCJSCDJSUVKX-UHFFFAOYSA-N
XLogP2.31
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(piperidin-3-ylmethyl)phenyl]piperidine
CID 116988274
2-[(4-pyrrolidin-3-ylphenyl)methyl]piperidine
CID 116988436
3-[(4-cyclobutylphenyl)methyl]piperidine
CID 84793090
4-[(4-iodophenyl)methyl]azepane
CID 83262135
1-methyl-2-[(4-pyrrolidin-3-ylphenyl)methyl]piperazine
CID 116988478
4-(piperidin-4-ylmethyl)phenol
CID 17039495
4-[[4-(fluoromethyl)phenyl]methyl]piperidine
CID 84675538
(3R)-3-[(4-fluorophenyl)methyl]pyrrolidine
CID 86309434
4-(azepan-4-ylmethyl)phenol
CID 83261604
N-ethyl-N-[(4-pyrrolidin-3-ylphenyl)methyl]ethanamine
CID 117336989
4-(piperidin-4-ylmethyl)benzonitrile
CID 11644367
3-[[4-(fluoromethyl)phenyl]methyl]pyrrolidine
CID 84665010

Frequently Asked Questions

What is the IUPAC name of 4-[(4-pyrrolidin-3-ylphenyl)methyl]piperidine?
The IUPAC name of 4-[(4-pyrrolidin-3-ylphenyl)methyl]piperidine (CID 116988438) is 4-[(4-pyrrolidin-3-ylphenyl)methyl]piperidine.
What is the SMILES notation for 4-[(4-pyrrolidin-3-ylphenyl)methyl]piperidine?
The canonical SMILES for 4-[(4-pyrrolidin-3-ylphenyl)methyl]piperidine is c1cc(C2CCNC2)ccc1CC1CCNCC1.
What is the InChIKey of 4-[(4-pyrrolidin-3-ylphenyl)methyl]piperidine?
The InChIKey is QFFCJSCDJSUVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-3-15(16-7-10-18-12-16)4-2-13(1)11-14-5-8-17-9-6-14/h1-4,14,16-18H,5-12H2.
What are the key properties of 4-[(4-pyrrolidin-3-ylphenyl)methyl]piperidine?
4-[(4-pyrrolidin-3-ylphenyl)methyl]piperidine has a molecular weight of 244.38 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-pyrrolidin-3-ylphenyl)methyl]piperidine is sourced from PubChem (CID 116988438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).