1-[(1-phenylpyrrolidin-3-yl)methyl]piperidine

C16H24N2 — CID 171069499

IUPAC1-[(1-phenylpyrrolidin-3-yl)methyl]piperidine
SMILESc1ccc(N2CCC(CN3CCCCC3)C2)cc1
InChIInChI=1S/C16H24N2/c1-3-7-16(8-4-1)18-12-9-15(14-18)13-17-10-5-2-6-11-17/h1,3-4,7-8,15H,2,5-6,9-14H2
InChIKeyCEIHJAYGGPONKG-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.00
Rot. Bonds3

About 1-[(1-phenylpyrrolidin-3-yl)methyl]piperidine

1-[(1-phenylpyrrolidin-3-yl)methyl]piperidine (PubChem CID 171069499) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-[(1-phenylpyrrolidin-3-yl)methyl]piperidine.

Molecular Properties

Compound Name1-[(1-phenylpyrrolidin-3-yl)methyl]piperidine
PubChem CID171069499
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-[(1-phenylpyrrolidin-3-yl)methyl]piperidine
SMILESc1ccc(N2CCC(CN3CCCCC3)C2)cc1
InChIInChI=1S/C16H24N2/c1-3-7-16(8-4-1)18-12-9-15(14-18)13-17-10-5-2-6-11-17/h1,3-4,7-8,15H,2,5-6,9-14H2
InChIKeyCEIHJAYGGPONKG-UHFFFAOYSA-N
XLogP3.00
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-methyl-4-[[3-(4-methylphenyl)pyrrolidin-1-yl]methyl]piperidine;1-[(1-phenylpyrrolidin-3-yl)methyl]piperidine
CID 171070146
1-[(1-phenylpyrrolidin-3-yl)methyl]pyrrolidine-3-carboxamide
CID 127267019
4-[3-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine
CID 70748577
[(3S)-1-phenylpyrrolidin-3-yl]methanol
CID 42258987
1-benzyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 71930473
4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine
CID 70759625
2-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]quinazolin-4-amine
CID 154857857
N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine
CID 42258344
ethane;4-[(3-ethylazetidin-1-yl)methyl]-1-phenylpiperidine
CID 171069599
3-[4-(1H-indol-3-yl)-1-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]piperidin-4-yl]-1H-indole
CID 97034530
1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 51127812
(3R)-1-phenylpyrrolidin-3-amine
CID 51663648

Frequently Asked Questions

What is the IUPAC name of 1-[(1-phenylpyrrolidin-3-yl)methyl]piperidine?
The IUPAC name of 1-[(1-phenylpyrrolidin-3-yl)methyl]piperidine (CID 171069499) is 1-[(1-phenylpyrrolidin-3-yl)methyl]piperidine.
What is the SMILES notation for 1-[(1-phenylpyrrolidin-3-yl)methyl]piperidine?
The canonical SMILES for 1-[(1-phenylpyrrolidin-3-yl)methyl]piperidine is c1ccc(N2CCC(CN3CCCCC3)C2)cc1.
What is the InChIKey of 1-[(1-phenylpyrrolidin-3-yl)methyl]piperidine?
The InChIKey is CEIHJAYGGPONKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-3-7-16(8-4-1)18-12-9-15(14-18)13-17-10-5-2-6-11-17/h1,3-4,7-8,15H,2,5-6,9-14H2.
What are the key properties of 1-[(1-phenylpyrrolidin-3-yl)methyl]piperidine?
1-[(1-phenylpyrrolidin-3-yl)methyl]piperidine has a molecular weight of 244.38 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-phenylpyrrolidin-3-yl)methyl]piperidine is sourced from PubChem (CID 171069499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).