(3-benzylpyrrolidin-1-yl)-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride

C19H29ClN2O2 — CID 120622597

IUPAC(3-benzylpyrrolidin-1-yl)-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride
SMILESCOCC1(C(=O)N2CCC(Cc3ccccc3)C2)CCNCC1.Cl
InChIInChI=1S/C19H28N2O2.ClH/c1-23-15-19(8-10-20-11-9-19)18(22)21-12-7-17(14-21)13-16-5-3-2-4-6-16;/h2-6,17,20H,7-15H2,1H3;1H
InChIKeyNICYVWUNTXLTKY-UHFFFAOYSA-N
MW352.91 g/mol
LogP2.52
Rot. Bonds5

About (3-benzylpyrrolidin-1-yl)-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride

(3-benzylpyrrolidin-1-yl)-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride (PubChem CID 120622597) has the molecular formula C19H29ClN2O2 and a molecular weight of 352.91 g/mol. Its IUPAC name is (3-benzylpyrrolidin-1-yl)-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3-benzylpyrrolidin-1-yl)-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride
PubChem CID120622597
Molecular FormulaC19H29ClN2O2
Molecular Weight352.91 g/mol
Exact Mass352.19
IUPAC Name(3-benzylpyrrolidin-1-yl)-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride
SMILESCOCC1(C(=O)N2CCC(Cc3ccccc3)C2)CCNCC1.Cl
InChIInChI=1S/C19H28N2O2.ClH/c1-23-15-19(8-10-20-11-9-19)18(22)21-12-7-17(14-21)13-16-5-3-2-4-6-16;/h2-6,17,20H,7-15H2,1H3;1H
InChIKeyNICYVWUNTXLTKY-UHFFFAOYSA-N
XLogP2.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.91
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(methoxymethyl)piperidin-4-yl]-(3-phenylpyrrolidin-1-yl)methanone
CID 120622590
[(3S)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone
CID 97119464
[4-(methoxymethyl)piperidin-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 120619182
[1-[4-(methoxymethyl)piperidine-4-carbonyl]piperidin-4-yl]-phenylmethanone;hydrochloride
CID 120619483
1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-4-phenylbutan-1-one;hydrochloride
CID 120629546
[4-(benzenesulfonyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride
CID 120616987
[4-(diethylaminomethyl)piperidin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;dihydrochloride
CID 120642749
(4-ethylpiperidin-4-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64597488
1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindol-2-yl-[4-(methoxymethyl)piperidin-4-yl]methanone
CID 120636075
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-methoxypiperidine-4-carboxamide
CID 119778256
[(4aS,8aR)-1-benzyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-[1-(methoxymethyl)cyclopropyl]methanone
CID 129358270
2-(4-benzylpiperidin-1-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
CID 120890321

Frequently Asked Questions

What is the IUPAC name of (3-benzylpyrrolidin-1-yl)-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride?
The IUPAC name of (3-benzylpyrrolidin-1-yl)-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride (CID 120622597) is (3-benzylpyrrolidin-1-yl)-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride.
What is the SMILES notation for (3-benzylpyrrolidin-1-yl)-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride?
The canonical SMILES for (3-benzylpyrrolidin-1-yl)-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride is COCC1(C(=O)N2CCC(Cc3ccccc3)C2)CCNCC1.Cl.
What is the InChIKey of (3-benzylpyrrolidin-1-yl)-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride?
The InChIKey is NICYVWUNTXLTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2.ClH/c1-23-15-19(8-10-20-11-9-19)18(22)21-12-7-17(14-21)13-16-5-3-2-4-6-16;/h2-6,17,20H,7-15H2,1H3;1H.
What are the key properties of (3-benzylpyrrolidin-1-yl)-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride?
(3-benzylpyrrolidin-1-yl)-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride has a molecular weight of 352.91 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzylpyrrolidin-1-yl)-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride is sourced from PubChem (CID 120622597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).