2-[(4-pyrrolidin-3-ylphenyl)methyl]piperidine

C16H24N2 — CID 116988436

IUPAC2-[(4-pyrrolidin-3-ylphenyl)methyl]piperidine
SMILESc1cc(C2CCNC2)ccc1CC1CCCCN1
InChIInChI=1S/C16H24N2/c1-2-9-18-16(3-1)11-13-4-6-14(7-5-13)15-8-10-17-12-15/h4-7,15-18H,1-3,8-12H2
InChIKeyMWSYDNOHDSWMRH-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.45
Rot. Bonds3

About 2-[(4-pyrrolidin-3-ylphenyl)methyl]piperidine

2-[(4-pyrrolidin-3-ylphenyl)methyl]piperidine (PubChem CID 116988436) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-[(4-pyrrolidin-3-ylphenyl)methyl]piperidine.

Molecular Properties

Compound Name2-[(4-pyrrolidin-3-ylphenyl)methyl]piperidine
PubChem CID116988436
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2-[(4-pyrrolidin-3-ylphenyl)methyl]piperidine
SMILESc1cc(C2CCNC2)ccc1CC1CCCCN1
InChIInChI=1S/C16H24N2/c1-2-9-18-16(3-1)11-13-4-6-14(7-5-13)15-8-10-17-12-15/h4-7,15-18H,1-3,8-12H2
InChIKeyMWSYDNOHDSWMRH-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-cyclopropylphenyl)methyl]piperidine
CID 117307185
4-[(4-pyrrolidin-3-ylphenyl)methyl]piperidine
CID 116988438
(2R)-2-[(4-methylphenyl)methyl]piperidine
CID 7048103
2-[[4-(3,3-dimethylcyclohexyl)phenyl]methyl]piperidine
CID 117460005
3-(4-ethylphenyl)azepane
CID 83819662
1-methyl-2-[(4-pyrrolidin-3-ylphenyl)methyl]piperazine
CID 116988478
2-[(4-methylphenyl)methyl]pyrrolidine
CID 3510571
2-(4-pyrrolidin-3-ylphenyl)pyrrolidine
CID 116988431
3-[4-(piperidin-3-ylmethyl)phenyl]piperidine
CID 116988274
2-[(4-propan-2-ylsulfanylphenyl)methyl]piperidine
CID 82499085
1-[4-(piperidin-2-ylmethyl)phenyl]propan-2-ol
CID 117339227
2-[[4-(2-methoxyethyl)phenyl]methyl]piperidine
CID 117339226

Frequently Asked Questions

What is the IUPAC name of 2-[(4-pyrrolidin-3-ylphenyl)methyl]piperidine?
The IUPAC name of 2-[(4-pyrrolidin-3-ylphenyl)methyl]piperidine (CID 116988436) is 2-[(4-pyrrolidin-3-ylphenyl)methyl]piperidine.
What is the SMILES notation for 2-[(4-pyrrolidin-3-ylphenyl)methyl]piperidine?
The canonical SMILES for 2-[(4-pyrrolidin-3-ylphenyl)methyl]piperidine is c1cc(C2CCNC2)ccc1CC1CCCCN1.
What is the InChIKey of 2-[(4-pyrrolidin-3-ylphenyl)methyl]piperidine?
The InChIKey is MWSYDNOHDSWMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-2-9-18-16(3-1)11-13-4-6-14(7-5-13)15-8-10-17-12-15/h4-7,15-18H,1-3,8-12H2.
What are the key properties of 2-[(4-pyrrolidin-3-ylphenyl)methyl]piperidine?
2-[(4-pyrrolidin-3-ylphenyl)methyl]piperidine has a molecular weight of 244.38 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-pyrrolidin-3-ylphenyl)methyl]piperidine is sourced from PubChem (CID 116988436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).