3-[1-(phenylmethoxymethyl)pyrrolidin-2-yl]piperidine

C17H26N2O — CID 102941022

IUPAC3-[1-(phenylmethoxymethyl)pyrrolidin-2-yl]piperidine
SMILESc1ccc(COCN2CCCC2C2CCCNC2)cc1
InChIInChI=1S/C17H26N2O/c1-2-6-15(7-3-1)13-20-14-19-11-5-9-17(19)16-8-4-10-18-12-16/h1-3,6-7,16-18H,4-5,8-14H2
InChIKeyNABQFXMLRJJFGI-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.62
Rot. Bonds5

About 3-[1-(phenylmethoxymethyl)pyrrolidin-2-yl]piperidine

3-[1-(phenylmethoxymethyl)pyrrolidin-2-yl]piperidine (PubChem CID 102941022) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-[1-(phenylmethoxymethyl)pyrrolidin-2-yl]piperidine.

Molecular Properties

Compound Name3-[1-(phenylmethoxymethyl)pyrrolidin-2-yl]piperidine
PubChem CID102941022
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-[1-(phenylmethoxymethyl)pyrrolidin-2-yl]piperidine
SMILESc1ccc(COCN2CCCC2C2CCCNC2)cc1
InChIInChI=1S/C17H26N2O/c1-2-6-15(7-3-1)13-20-14-19-11-5-9-17(19)16-8-4-10-18-12-16/h1-3,6-7,16-18H,4-5,8-14H2
InChIKeyNABQFXMLRJJFGI-UHFFFAOYSA-N
XLogP2.62
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-2-piperidin-3-ylpiperidine
CID 82380311
3-[1-(3-phenylpropyl)pyrrolidin-2-yl]piperidine
CID 66273007
(3S)-3-(2-phenylmethoxyethyl)piperidine
CID 26192382
3-[1-(3-ethoxypropyl)pyrrolidin-2-yl]piperidine
CID 66271295
benzyl (3aR,8aS)-3,3a,4,5,6,7,8,8a-octahydro-2H-pyrrolo[2,3-c]azepine-1-carboxylate
CID 67355838
4-(1-benzylpyrrolidin-2-yl)piperidine
CID 82385405
3-[1-(3-methoxypropyl)pyrrolidin-2-yl]piperidine
CID 66273644
3-(16-phenylmethoxyhexadecoxy)piperidine
CID 177224611
(2S)-2-[(3R)-piperidin-3-yl]-1-propylpiperidine
CID 95241605
3-[1-(5-fluoropentyl)pyrrolidin-2-yl]piperidine
CID 114280388
3-[(1-benzylpyrrolidin-2-yl)methyl]piperidine
CID 82623664
4-phenylmethoxyazepane
CID 63716383

Frequently Asked Questions

What is the IUPAC name of 3-[1-(phenylmethoxymethyl)pyrrolidin-2-yl]piperidine?
The IUPAC name of 3-[1-(phenylmethoxymethyl)pyrrolidin-2-yl]piperidine (CID 102941022) is 3-[1-(phenylmethoxymethyl)pyrrolidin-2-yl]piperidine.
What is the SMILES notation for 3-[1-(phenylmethoxymethyl)pyrrolidin-2-yl]piperidine?
The canonical SMILES for 3-[1-(phenylmethoxymethyl)pyrrolidin-2-yl]piperidine is c1ccc(COCN2CCCC2C2CCCNC2)cc1.
What is the InChIKey of 3-[1-(phenylmethoxymethyl)pyrrolidin-2-yl]piperidine?
The InChIKey is NABQFXMLRJJFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-6-15(7-3-1)13-20-14-19-11-5-9-17(19)16-8-4-10-18-12-16/h1-3,6-7,16-18H,4-5,8-14H2.
What are the key properties of 3-[1-(phenylmethoxymethyl)pyrrolidin-2-yl]piperidine?
3-[1-(phenylmethoxymethyl)pyrrolidin-2-yl]piperidine has a molecular weight of 274.41 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(phenylmethoxymethyl)pyrrolidin-2-yl]piperidine is sourced from PubChem (CID 102941022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).