(2S)-1-benzyl-2-[(2R)-2-(methoxymethoxy)pentyl]piperidine

C19H31NO2 — CID 122225056

IUPAC(2S)-1-benzyl-2-[(2R)-2-(methoxymethoxy)pentyl]piperidine
SMILESCCC[C@H](C[C@@H]1CCCCN1Cc1ccccc1)OCOC
InChIInChI=1S/C19H31NO2/c1-3-9-19(22-16-21-2)14-18-12-7-8-13-20(18)15-17-10-5-4-6-11-17/h4-6,10-11,18-19H,3,7-9,12-16H2,1-2H3/t18-,19+/m0/s1
InChIKeyBDMNNQAXEGNHLC-RBUKOAKNSA-N
MW305.46 g/mol
LogP4.22
Rot. Bonds9

About (2S)-1-benzyl-2-[(2R)-2-(methoxymethoxy)pentyl]piperidine

(2S)-1-benzyl-2-[(2R)-2-(methoxymethoxy)pentyl]piperidine (PubChem CID 122225056) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is (2S)-1-benzyl-2-[(2R)-2-(methoxymethoxy)pentyl]piperidine.

Molecular Properties

Compound Name(2S)-1-benzyl-2-[(2R)-2-(methoxymethoxy)pentyl]piperidine
PubChem CID122225056
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name(2S)-1-benzyl-2-[(2R)-2-(methoxymethoxy)pentyl]piperidine
SMILESCCC[C@H](C[C@@H]1CCCCN1Cc1ccccc1)OCOC
InChIInChI=1S/C19H31NO2/c1-3-9-19(22-16-21-2)14-18-12-7-8-13-20(18)15-17-10-5-4-6-11-17/h4-6,10-11,18-19H,3,7-9,12-16H2,1-2H3/t18-,19+/m0/s1
InChIKeyBDMNNQAXEGNHLC-RBUKOAKNSA-N
XLogP4.22
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-benzyl-2-[(2S)-2-phenylmethoxybutyl]piperidine
CID 122225055
(2S)-1-benzyl-2-propylpiperidine
CID 71407726
4-(1-benzylpiperidin-2-yl)butan-2-ol
CID 83982325
3-(1-benzylpiperidin-2-yl)-2-methylpropan-1-ol
CID 83982303
1-(1-benzylpiperidin-2-yl)-N-methylpropan-2-amine
CID 83982317
(2R)-1-benzyl-2-(bromomethyl)piperidine;hydrochloride
CID 67264853
4-(1-benzylpiperidin-2-yl)butan-2-amine
CID 83982307
1-benzyl-2-(2-chloroethyl)piperidine
CID 18473722
(1R)-2-[(2S)-1-benzylpiperidin-2-yl]-1-(4-fluorophenyl)ethanol
CID 125487473
[(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride
CID 22856183
4-[[2-(2-hydroxypropyl)piperidin-1-yl]methyl]benzoic acid
CID 114337900
N'-[[(2R)-1-benzylpiperidin-2-yl]methyl]-N'-ethylethane-1,2-diamine
CID 96552846

Frequently Asked Questions

What is the IUPAC name of (2S)-1-benzyl-2-[(2R)-2-(methoxymethoxy)pentyl]piperidine?
The IUPAC name of (2S)-1-benzyl-2-[(2R)-2-(methoxymethoxy)pentyl]piperidine (CID 122225056) is (2S)-1-benzyl-2-[(2R)-2-(methoxymethoxy)pentyl]piperidine.
What is the SMILES notation for (2S)-1-benzyl-2-[(2R)-2-(methoxymethoxy)pentyl]piperidine?
The canonical SMILES for (2S)-1-benzyl-2-[(2R)-2-(methoxymethoxy)pentyl]piperidine is CCC[C@H](C[C@@H]1CCCCN1Cc1ccccc1)OCOC.
What is the InChIKey of (2S)-1-benzyl-2-[(2R)-2-(methoxymethoxy)pentyl]piperidine?
The InChIKey is BDMNNQAXEGNHLC-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H31NO2/c1-3-9-19(22-16-21-2)14-18-12-7-8-13-20(18)15-17-10-5-4-6-11-17/h4-6,10-11,18-19H,3,7-9,12-16H2,1-2H3/t18-,19+/m0/s1.
What are the key properties of (2S)-1-benzyl-2-[(2R)-2-(methoxymethoxy)pentyl]piperidine?
(2S)-1-benzyl-2-[(2R)-2-(methoxymethoxy)pentyl]piperidine has a molecular weight of 305.46 g/mol, XLogP of 4.22, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-benzyl-2-[(2R)-2-(methoxymethoxy)pentyl]piperidine is sourced from PubChem (CID 122225056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).