(4-methylpiperidin-1-yl)-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone

C26H35N2O2+ — CID 6963042

IUPAC(4-methylpiperidin-1-yl)-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone
SMILESCC1CCN(C(=O)C2CC[NH+](Cc3ccc(OCc4ccccc4)cc3)CC2)CC1
InChIInChI=1S/C26H34N2O2/c1-21-11-17-28(18-12-21)26(29)24-13-15-27(16-14-24)19-22-7-9-25(10-8-22)30-20-23-5-3-2-4-6-23/h2-10,21,24H,11-20H2,1H3/p+1
InChIKeyMQGOVLVEKYPJSL-UHFFFAOYSA-O
MW407.58 g/mol
LogP3.32
Rot. Bonds6

About (4-methylpiperidin-1-yl)-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone

(4-methylpiperidin-1-yl)-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone (PubChem CID 6963042) has the molecular formula C26H35N2O2+ and a molecular weight of 407.58 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone
PubChem CID6963042
Molecular FormulaC26H35N2O2+
Molecular Weight407.58 g/mol
Exact Mass407.27
IUPAC Name(4-methylpiperidin-1-yl)-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone
SMILESCC1CCN(C(=O)C2CC[NH+](Cc3ccc(OCc4ccccc4)cc3)CC2)CC1
InChIInChI=1S/C26H34N2O2/c1-21-11-17-28(18-12-21)26(29)24-13-15-27(16-14-24)19-22-7-9-25(10-8-22)30-20-23-5-3-2-4-6-23/h2-10,21,24H,11-20H2,1H3/p+1
InChIKeyMQGOVLVEKYPJSL-UHFFFAOYSA-O
XLogP3.32
TPSA33.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.58
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-methylpiperidin-1-yl)-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone with MolForge

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Related Compounds

(4-methylpiperidin-1-yl)-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanone;hydrochloride
CID 163328056
4-(4-methylpiperidine-1-carbonyl)-1-(4-phenylmethoxyphenyl)pyrrolidin-2-one
CID 113190122
(4-methylpiperidin-1-yl)-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]methanone
CID 6945790
(4-benzylpiperazin-4-ium-1-yl)-cyclobutylmethanone
CID 7441438
N-butyl-1-[(4-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide
CID 7279485
[1-[4-(phenoxymethyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134041883
1-ethyl-4-[(4-phenylmethoxyphenyl)methyl]piperazine-1,4-diium
CID 6943042
[1-[(2,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 7299453
[1-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 55949947
1-[(4-phenylmethoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)piperidin-1-ium-4-carboxamide
CID 6966321
[(3R)-1-(1-benzylpiperidin-1-ium-4-yl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 1423531
3-(4-methylpiperidine-1-carbonyl)-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 3916378

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone (CID 6963042) is (4-methylpiperidin-1-yl)-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone is CC1CCN(C(=O)C2CC[NH+](Cc3ccc(OCc4ccccc4)cc3)CC2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone?
The InChIKey is MQGOVLVEKYPJSL-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H34N2O2/c1-21-11-17-28(18-12-21)26(29)24-13-15-27(16-14-24)19-22-7-9-25(10-8-22)30-20-23-5-3-2-4-6-23/h2-10,21,24H,11-20H2,1H3/p+1.
What are the key properties of (4-methylpiperidin-1-yl)-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone?
(4-methylpiperidin-1-yl)-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone has a molecular weight of 407.58 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone is sourced from PubChem (CID 6963042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).