(1-benzylpiperidin-4-yl)-dimethylazanium

C14H23N2+ — CID 86306723

IUPAC(1-benzylpiperidin-4-yl)-dimethylazanium
SMILESC[NH+](C)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H22N2/c1-15(2)14-8-10-16(11-9-14)12-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3/p+1
InChIKeyOBVYWDMYARWZRA-UHFFFAOYSA-O
MW219.35 g/mol
LogP0.80
Rot. Bonds3

About (1-benzylpiperidin-4-yl)-dimethylazanium

(1-benzylpiperidin-4-yl)-dimethylazanium (PubChem CID 86306723) has the molecular formula C14H23N2+ and a molecular weight of 219.35 g/mol. Its IUPAC name is (1-benzylpiperidin-4-yl)-dimethylazanium.

Molecular Properties

Compound Name(1-benzylpiperidin-4-yl)-dimethylazanium
PubChem CID86306723
Molecular FormulaC14H23N2+
Molecular Weight219.35 g/mol
Exact Mass219.19
IUPAC Name(1-benzylpiperidin-4-yl)-dimethylazanium
SMILESC[NH+](C)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H22N2/c1-15(2)14-8-10-16(11-9-14)12-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3/p+1
InChIKeyOBVYWDMYARWZRA-UHFFFAOYSA-O
XLogP0.80
TPSA7.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-N-methylpiperidin-4-amine
CID 4136128
(1-benzylpiperidin-4-yl)methanethiol
CID 88901626
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzyl-N,N-dicyclopropylpiperidin-4-amine
CID 11097616
1-benzylpiperidine-4-carbothioic S-acid
CID 154705821
1-(1-benzylpiperidin-4-yl)ethanone
CID 910923
1-benzyl-4-sulfanylpiperazine;ethane
CID 171536201
1-benzylpyrrolidine;propane
CID 143692089
1-benzyl-4-cyclopropylpiperazine
CID 69195043
1-benzyl-N-[(1-methylcyclopropyl)methyl]piperidin-4-amine
CID 103724488
1-(1-benzylpiperidin-4-yl)azocane
CID 2846402
1-benzyl-4-phenylmethoxypiperidine
CID 15892976

Frequently Asked Questions

What is the IUPAC name of (1-benzylpiperidin-4-yl)-dimethylazanium?
The IUPAC name of (1-benzylpiperidin-4-yl)-dimethylazanium (CID 86306723) is (1-benzylpiperidin-4-yl)-dimethylazanium.
What is the SMILES notation for (1-benzylpiperidin-4-yl)-dimethylazanium?
The canonical SMILES for (1-benzylpiperidin-4-yl)-dimethylazanium is C[NH+](C)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (1-benzylpiperidin-4-yl)-dimethylazanium?
The InChIKey is OBVYWDMYARWZRA-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H22N2/c1-15(2)14-8-10-16(11-9-14)12-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3/p+1.
What are the key properties of (1-benzylpiperidin-4-yl)-dimethylazanium?
(1-benzylpiperidin-4-yl)-dimethylazanium has a molecular weight of 219.35 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpiperidin-4-yl)-dimethylazanium is sourced from PubChem (CID 86306723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).