(4-methylpiperidin-1-yl)-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]methanone

C21H33N2O+ — CID 6945790

IUPAC(4-methylpiperidin-1-yl)-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]methanone
SMILESCC1CCN(C(=O)C2CC[NH+](CCCc3ccccc3)CC2)CC1
InChIInChI=1S/C21H32N2O/c1-18-9-16-23(17-10-18)21(24)20-11-14-22(15-12-20)13-5-8-19-6-3-2-4-7-19/h2-4,6-7,18,20H,5,8-17H2,1H3/p+1
InChIKeyQNRHKSZNPGFUGL-UHFFFAOYSA-O
MW329.51 g/mol
LogP2.17
Rot. Bonds5

About (4-methylpiperidin-1-yl)-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]methanone

(4-methylpiperidin-1-yl)-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]methanone (PubChem CID 6945790) has the molecular formula C21H33N2O+ and a molecular weight of 329.51 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]methanone
PubChem CID6945790
Molecular FormulaC21H33N2O+
Molecular Weight329.51 g/mol
Exact Mass329.26
IUPAC Name(4-methylpiperidin-1-yl)-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]methanone
SMILESCC1CCN(C(=O)C2CC[NH+](CCCc3ccccc3)CC2)CC1
InChIInChI=1S/C21H32N2O/c1-18-9-16-23(17-10-18)21(24)20-11-14-22(15-12-20)13-5-8-19-6-3-2-4-7-19/h2-4,6-7,18,20H,5,8-17H2,1H3/p+1
InChIKeyQNRHKSZNPGFUGL-UHFFFAOYSA-O
XLogP2.17
TPSA24.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.51
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

azepan-1-yl-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]methanone
CID 7344238
(4-methylpiperidin-1-yl)-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone
CID 6963042
1-(4-methylpiperidin-1-yl)-4-phenylbutan-1-one
CID 1122148
cyclopropyl-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 86914488
(4-methylpiperidin-1-yl)-[(3R)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 26329649
(4-benzylpiperazin-4-ium-1-yl)-cyclobutylmethanone
CID 7441438
4-methyl-1-(4-phenylbutyl)piperidine
CID 118534913
[4-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 109146334
1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-5-phenylpentan-1-one
CID 110425931
(4-fluorophenyl)-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]methanone
CID 4743163
4-(3-phenylpropyl)piperidine-1-carboxylic acid
CID 67759674
(3-methylpiperidin-1-yl)-[1-(3-phenylpropylsulfonyl)piperidin-4-yl]methanone
CID 113005867

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]methanone (CID 6945790) is (4-methylpiperidin-1-yl)-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]methanone is CC1CCN(C(=O)C2CC[NH+](CCCc3ccccc3)CC2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]methanone?
The InChIKey is QNRHKSZNPGFUGL-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H32N2O/c1-18-9-16-23(17-10-18)21(24)20-11-14-22(15-12-20)13-5-8-19-6-3-2-4-7-19/h2-4,6-7,18,20H,5,8-17H2,1H3/p+1.
What are the key properties of (4-methylpiperidin-1-yl)-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]methanone?
(4-methylpiperidin-1-yl)-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]methanone has a molecular weight of 329.51 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]methanone is sourced from PubChem (CID 6945790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).