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

C26H35ClN2O2 — CID 163328056

IUPAC(4-methylpiperidin-1-yl)-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanone;hydrochloride
SMILESCC1CCN(C(=O)C2CCN(Cc3ccc(OCc4ccccc4)cc3)CC2)CC1.Cl
InChIInChI=1S/C26H34N2O2.ClH/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;1H
InChIKeyKGTXADKGGANTMP-UHFFFAOYSA-N
MW443.03 g/mol
LogP5.16
Rot. Bonds6

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

(4-methylpiperidin-1-yl)-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanone;hydrochloride (PubChem CID 163328056) has the molecular formula C26H35ClN2O2 and a molecular weight of 443.03 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanone;hydrochloride
PubChem CID163328056
Molecular FormulaC26H35ClN2O2
Molecular Weight443.03 g/mol
Exact Mass442.24
IUPAC Name(4-methylpiperidin-1-yl)-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanone;hydrochloride
SMILESCC1CCN(C(=O)C2CCN(Cc3ccc(OCc4ccccc4)cc3)CC2)CC1.Cl
InChIInChI=1S/C26H34N2O2.ClH/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;1H
InChIKeyKGTXADKGGANTMP-UHFFFAOYSA-N
XLogP5.16
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.03
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylpiperidin-1-yl)-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone
CID 6963042
[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 3493340
[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 807342
oxalic acid;[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 163328359
ethyl 1-[(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylate;oxalic acid
CID 23724214
4-(4-methylpiperidine-1-carbonyl)-1-(4-phenylmethoxyphenyl)pyrrolidin-2-one
CID 113190122
N-(1-methoxypropan-2-yl)-1-[(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 51361898
2-[4-[(4-methylpiperidin-1-yl)methyl]phenoxy]acetic acid
CID 23378235
(4-methylpiperidin-1-yl)-[1-(pyridin-3-ylmethyl)piperidin-4-yl]methanone;oxalic acid
CID 126468803
[4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]-pyrrolidin-1-ylmethanone
CID 59382130
[1-[4-(phenoxymethyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134041883
[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 883926

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanone;hydrochloride?
The IUPAC name of (4-methylpiperidin-1-yl)-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanone;hydrochloride (CID 163328056) is (4-methylpiperidin-1-yl)-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanone;hydrochloride.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanone;hydrochloride?
The canonical SMILES for (4-methylpiperidin-1-yl)-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanone;hydrochloride is CC1CCN(C(=O)C2CCN(Cc3ccc(OCc4ccccc4)cc3)CC2)CC1.Cl.
What is the InChIKey of (4-methylpiperidin-1-yl)-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanone;hydrochloride?
The InChIKey is KGTXADKGGANTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O2.ClH/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;1H.
What are the key properties of (4-methylpiperidin-1-yl)-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanone;hydrochloride?
(4-methylpiperidin-1-yl)-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanone;hydrochloride has a molecular weight of 443.03 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanone;hydrochloride is sourced from PubChem (CID 163328056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).