piperidin-1-yl-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanone;hydrochloride

C21H33ClN2O4 — CID 163326491

IUPACpiperidin-1-yl-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanone;hydrochloride
SMILESCOc1cc(OC)c(OC)cc1CN1CCCC(C(=O)N2CCCCC2)C1.Cl
InChIInChI=1S/C21H32N2O4.ClH/c1-25-18-13-20(27-3)19(26-2)12-17(18)15-22-9-7-8-16(14-22)21(24)23-10-5-4-6-11-23;/h12-13,16H,4-11,14-15H2,1-3H3;1H
InChIKeyULOZOXLGACNANW-UHFFFAOYSA-N
MW412.96 g/mol
LogP3.36
Rot. Bonds6

About piperidin-1-yl-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanone;hydrochloride

piperidin-1-yl-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanone;hydrochloride (PubChem CID 163326491) has the molecular formula C21H33ClN2O4 and a molecular weight of 412.96 g/mol. Its IUPAC name is piperidin-1-yl-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanone;hydrochloride.

Molecular Properties

Compound Namepiperidin-1-yl-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanone;hydrochloride
PubChem CID163326491
Molecular FormulaC21H33ClN2O4
Molecular Weight412.96 g/mol
Exact Mass412.21
IUPAC Namepiperidin-1-yl-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanone;hydrochloride
SMILESCOc1cc(OC)c(OC)cc1CN1CCCC(C(=O)N2CCCCC2)C1.Cl
InChIInChI=1S/C21H32N2O4.ClH/c1-25-18-13-20(27-3)19(26-2)12-17(18)15-22-9-7-8-16(14-22)21(24)23-10-5-4-6-11-23;/h12-13,16H,4-11,14-15H2,1-3H3;1H
InChIKeyULOZOXLGACNANW-UHFFFAOYSA-N
XLogP3.36
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.96
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

azepan-1-yl-[(3S)-1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 1293873
[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 3409928
[(3S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 756481
azepan-1-yl-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 3796866
azepan-1-yl-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-3-yl]methanone;oxalic acid
CID 2933537
1-[(3-methoxynaphthalen-2-yl)methyl]piperidine-3-carboxylic acid
CID 122040667
piperidin-1-yl-[(3S)-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone
CID 1389078
[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;oxalic acid
CID 662630
1-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperidine-3-carboxylic acid
CID 91779862
1-[(3R)-3-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 9474993
(3R)-1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 1069661
azepan-1-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 756318

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanone;hydrochloride?
The IUPAC name of piperidin-1-yl-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanone;hydrochloride (CID 163326491) is piperidin-1-yl-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanone;hydrochloride.
What is the SMILES notation for piperidin-1-yl-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanone;hydrochloride?
The canonical SMILES for piperidin-1-yl-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanone;hydrochloride is COc1cc(OC)c(OC)cc1CN1CCCC(C(=O)N2CCCCC2)C1.Cl.
What is the InChIKey of piperidin-1-yl-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanone;hydrochloride?
The InChIKey is ULOZOXLGACNANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O4.ClH/c1-25-18-13-20(27-3)19(26-2)12-17(18)15-22-9-7-8-16(14-22)21(24)23-10-5-4-6-11-23;/h12-13,16H,4-11,14-15H2,1-3H3;1H.
What are the key properties of piperidin-1-yl-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanone;hydrochloride?
piperidin-1-yl-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanone;hydrochloride has a molecular weight of 412.96 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanone;hydrochloride is sourced from PubChem (CID 163326491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).