[4-(ethylaminomethyl)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone;hydrochloride

C22H29ClN2O2 — CID 119645905

IUPAC[4-(ethylaminomethyl)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone;hydrochloride
SMILESCCNCC1CCN(C(=O)c2ccc(COc3ccccc3)cc2)CC1.Cl
InChIInChI=1S/C22H28N2O2.ClH/c1-2-23-16-18-12-14-24(15-13-18)22(25)20-10-8-19(9-11-20)17-26-21-6-4-3-5-7-21;/h3-11,18,23H,2,12-17H2,1H3;1H
InChIKeyPKVILHINGDIHAR-UHFFFAOYSA-N
MW388.94 g/mol
LogP4.15
Rot. Bonds7

About [4-(ethylaminomethyl)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone;hydrochloride

[4-(ethylaminomethyl)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone;hydrochloride (PubChem CID 119645905) has the molecular formula C22H29ClN2O2 and a molecular weight of 388.94 g/mol. Its IUPAC name is [4-(ethylaminomethyl)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone;hydrochloride.

Molecular Properties

Compound Name[4-(ethylaminomethyl)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone;hydrochloride
PubChem CID119645905
Molecular FormulaC22H29ClN2O2
Molecular Weight388.94 g/mol
Exact Mass388.19
IUPAC Name[4-(ethylaminomethyl)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone;hydrochloride
SMILESCCNCC1CCN(C(=O)c2ccc(COc3ccccc3)cc2)CC1.Cl
InChIInChI=1S/C22H28N2O2.ClH/c1-2-23-16-18-12-14-24(15-13-18)22(25)20-10-8-19(9-11-20)17-26-21-6-4-3-5-7-21;/h3-11,18,23H,2,12-17H2,1H3;1H
InChIKeyPKVILHINGDIHAR-UHFFFAOYSA-N
XLogP4.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.94
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(4-phenylmethoxyphenoxy)ethanone;hydrochloride
CID 119644698
[3-[(4-chlorophenyl)methoxy]phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119647252
[4-(cyclopropylmethoxy)phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645875
[1-[4-(phenoxymethyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134041883
azepan-1-yl-[4-(phenoxymethyl)phenyl]methanone
CID 55334830
ethyl 4-[4-(phenoxymethyl)benzoyl]piperazine-1-carboxylate
CID 6457055
N-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide
CID 119647060
(4-bromophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551597
(3R)-1-[4-(phenoxymethyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 125135118
[3-(methylamino)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone
CID 119490079
[4-(ethylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 80552437
2-[methyl-[1-[4-(phenoxymethyl)benzoyl]azepan-4-yl]amino]acetic acid
CID 129008282

Frequently Asked Questions

What is the IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone;hydrochloride?
The IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone;hydrochloride (CID 119645905) is [4-(ethylaminomethyl)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone;hydrochloride.
What is the SMILES notation for [4-(ethylaminomethyl)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone;hydrochloride?
The canonical SMILES for [4-(ethylaminomethyl)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone;hydrochloride is CCNCC1CCN(C(=O)c2ccc(COc3ccccc3)cc2)CC1.Cl.
What is the InChIKey of [4-(ethylaminomethyl)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone;hydrochloride?
The InChIKey is PKVILHINGDIHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2.ClH/c1-2-23-16-18-12-14-24(15-13-18)22(25)20-10-8-19(9-11-20)17-26-21-6-4-3-5-7-21;/h3-11,18,23H,2,12-17H2,1H3;1H.
What are the key properties of [4-(ethylaminomethyl)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone;hydrochloride?
[4-(ethylaminomethyl)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone;hydrochloride has a molecular weight of 388.94 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylaminomethyl)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone;hydrochloride is sourced from PubChem (CID 119645905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).