3-phenyl-5-[4-(propan-2-yloxymethyl)pyrrolidin-2-yl]piperidine

C19H30N2O — CID 135197060

IUPAC3-phenyl-5-[4-(propan-2-yloxymethyl)pyrrolidin-2-yl]piperidine
SMILESCC(C)OCC1CNC(C2CNCC(c3ccccc3)C2)C1
InChIInChI=1S/C19H30N2O/c1-14(2)22-13-15-8-19(21-10-15)18-9-17(11-20-12-18)16-6-4-3-5-7-16/h3-7,14-15,17-21H,8-13H2,1-2H3
InChIKeyNMHMBDPZNDVICI-UHFFFAOYSA-N
MW302.46 g/mol
LogP2.78
Rot. Bonds5

About 3-phenyl-5-[4-(propan-2-yloxymethyl)pyrrolidin-2-yl]piperidine

3-phenyl-5-[4-(propan-2-yloxymethyl)pyrrolidin-2-yl]piperidine (PubChem CID 135197060) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 3-phenyl-5-[4-(propan-2-yloxymethyl)pyrrolidin-2-yl]piperidine.

Molecular Properties

Compound Name3-phenyl-5-[4-(propan-2-yloxymethyl)pyrrolidin-2-yl]piperidine
PubChem CID135197060
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name3-phenyl-5-[4-(propan-2-yloxymethyl)pyrrolidin-2-yl]piperidine
SMILESCC(C)OCC1CNC(C2CNCC(c3ccccc3)C2)C1
InChIInChI=1S/C19H30N2O/c1-14(2)22-13-15-8-19(21-10-15)18-9-17(11-20-12-18)16-6-4-3-5-7-16/h3-7,14-15,17-21H,8-13H2,1-2H3
InChIKeyNMHMBDPZNDVICI-UHFFFAOYSA-N
XLogP2.78
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylbutan-2-yl)-5-phenyl-2-[4-(propan-2-yloxymethyl)pyrrolidin-2-yl]piperidine
CID 138545728
3-phenylazetidine;triethoxysilane
CID 173466257
methyl 5-phenylpiperidine-3-carboxylate;hydrochloride
CID 91798805
methyl (2S,4S)-4-phenylpyrrolidine-2-carboxylate
CID 92978343
methyl (2S,4R)-4-phenylpyrrolidine-2-carboxylate
CID 14102971
(2R,4R)-2-cyclopropyl-4-phenylpiperidine
CID 124673517
ethane;2-methyl-4-phenylpyrrolidine
CID 176952755
3-(3-methyl-4-propan-2-yloxyphenyl)azetidine
CID 82283172
(3S,5R)-5-phenylpiperidine-3-carboxylic acid
CID 96581531
1-[methyl-(4-phenylcyclohexyl)amino]-3-propan-2-yloxypropan-2-ol
CID 78896602
ethyl (2S,4S)-4-phenylpyrrolidine-2-carboxylate
CID 153349946
5-cyclopropyl-1-(3-methoxy-2-methylpropyl)-2-phenylpiperazine
CID 64946388

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[4-(propan-2-yloxymethyl)pyrrolidin-2-yl]piperidine?
The IUPAC name of 3-phenyl-5-[4-(propan-2-yloxymethyl)pyrrolidin-2-yl]piperidine (CID 135197060) is 3-phenyl-5-[4-(propan-2-yloxymethyl)pyrrolidin-2-yl]piperidine.
What is the SMILES notation for 3-phenyl-5-[4-(propan-2-yloxymethyl)pyrrolidin-2-yl]piperidine?
The canonical SMILES for 3-phenyl-5-[4-(propan-2-yloxymethyl)pyrrolidin-2-yl]piperidine is CC(C)OCC1CNC(C2CNCC(c3ccccc3)C2)C1.
What is the InChIKey of 3-phenyl-5-[4-(propan-2-yloxymethyl)pyrrolidin-2-yl]piperidine?
The InChIKey is NMHMBDPZNDVICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-14(2)22-13-15-8-19(21-10-15)18-9-17(11-20-12-18)16-6-4-3-5-7-16/h3-7,14-15,17-21H,8-13H2,1-2H3.
What are the key properties of 3-phenyl-5-[4-(propan-2-yloxymethyl)pyrrolidin-2-yl]piperidine?
3-phenyl-5-[4-(propan-2-yloxymethyl)pyrrolidin-2-yl]piperidine has a molecular weight of 302.46 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[4-(propan-2-yloxymethyl)pyrrolidin-2-yl]piperidine is sourced from PubChem (CID 135197060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).