[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone;hydrochloride

C22H35ClN2O2 — CID 52985386

IUPAC[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone;hydrochloride
SMILESCC(C)Oc1ccc(C(=O)N2CCC(CCN3CCCCC3)CC2)cc1.Cl
InChIInChI=1S/C22H34N2O2.ClH/c1-18(2)26-21-8-6-20(7-9-21)22(25)24-16-11-19(12-17-24)10-15-23-13-4-3-5-14-23;/h6-9,18-19H,3-5,10-17H2,1-2H3;1H
InChIKeyIKPBVQDPPDPKLH-UHFFFAOYSA-N
MW394.99 g/mol
LogP4.62
Rot. Bonds6

About [4-(2-piperidin-1-ylethyl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone;hydrochloride

[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone;hydrochloride (PubChem CID 52985386) has the molecular formula C22H35ClN2O2 and a molecular weight of 394.99 g/mol. Its IUPAC name is [4-(2-piperidin-1-ylethyl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone;hydrochloride
PubChem CID52985386
Molecular FormulaC22H35ClN2O2
Molecular Weight394.99 g/mol
Exact Mass394.24
IUPAC Name[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone;hydrochloride
SMILESCC(C)Oc1ccc(C(=O)N2CCC(CCN3CCCCC3)CC2)cc1.Cl
InChIInChI=1S/C22H34N2O2.ClH/c1-18(2)26-21-8-6-20(7-9-21)22(25)24-16-11-19(12-17-24)10-15-23-13-4-3-5-14-23;/h6-9,18-19H,3-5,10-17H2,1-2H3;1H
InChIKeyIKPBVQDPPDPKLH-UHFFFAOYSA-N
XLogP4.62
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.99
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 23607119
1-(4-propan-2-yloxybenzoyl)piperidine-4-carboxylic acid
CID 17200636
[3-(2-chloroethyl)pyrrolidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 114801057
N-(4-propan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54834060
[(3R)-3-hydroxypyrrolidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 66262351
1-[4-(4-propan-2-yloxybenzoyl)-1,4-diazepan-1-yl]ethanone
CID 110805535
[(3S)-3-hydroxypiperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 39950124
(4-tert-butylphenyl)-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 39834967
1-benzoyl-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 110298361
3-methyl-1-[4-(4-propan-2-yloxybenzoyl)-1,4-diazepan-1-yl]butan-1-one
CID 110806888
N-[(4S,5S)-5-hydroxy-1-(4-propan-2-yloxybenzoyl)azepan-4-yl]acetamide
CID 110126962
N-[4-(piperidine-1-carbonyl)phenyl]-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide
CID 54845235

Frequently Asked Questions

What is the IUPAC name of [4-(2-piperidin-1-ylethyl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone;hydrochloride?
The IUPAC name of [4-(2-piperidin-1-ylethyl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone;hydrochloride (CID 52985386) is [4-(2-piperidin-1-ylethyl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone;hydrochloride.
What is the SMILES notation for [4-(2-piperidin-1-ylethyl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone;hydrochloride?
The canonical SMILES for [4-(2-piperidin-1-ylethyl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone;hydrochloride is CC(C)Oc1ccc(C(=O)N2CCC(CCN3CCCCC3)CC2)cc1.Cl.
What is the InChIKey of [4-(2-piperidin-1-ylethyl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone;hydrochloride?
The InChIKey is IKPBVQDPPDPKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2.ClH/c1-18(2)26-21-8-6-20(7-9-21)22(25)24-16-11-19(12-17-24)10-15-23-13-4-3-5-14-23;/h6-9,18-19H,3-5,10-17H2,1-2H3;1H.
What are the key properties of [4-(2-piperidin-1-ylethyl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone;hydrochloride?
[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone;hydrochloride has a molecular weight of 394.99 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-piperidin-1-ylethyl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone;hydrochloride is sourced from PubChem (CID 52985386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).