N,N-dimethyl-4-(2-phenyl-1-piperidin-1-ylethyl)aniline;hydrochloride

C21H29ClN2 — CID 54609342

IUPACN,N-dimethyl-4-(2-phenyl-1-piperidin-1-ylethyl)aniline;hydrochloride
SMILESCN(C)c1ccc(C(Cc2ccccc2)N2CCCCC2)cc1.Cl
InChIInChI=1S/C21H28N2.ClH/c1-22(2)20-13-11-19(12-14-20)21(23-15-7-4-8-16-23)17-18-9-5-3-6-10-18;/h3,5-6,9-14,21H,4,7-8,15-17H2,1-2H3;1H
InChIKeyKQLFBLOZQLRFOJ-UHFFFAOYSA-N
MW344.93 g/mol
LogP4.94
Rot. Bonds5

About N,N-dimethyl-4-(2-phenyl-1-piperidin-1-ylethyl)aniline;hydrochloride

N,N-dimethyl-4-(2-phenyl-1-piperidin-1-ylethyl)aniline;hydrochloride (PubChem CID 54609342) has the molecular formula C21H29ClN2 and a molecular weight of 344.93 g/mol. Its IUPAC name is N,N-dimethyl-4-(2-phenyl-1-piperidin-1-ylethyl)aniline;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-4-(2-phenyl-1-piperidin-1-ylethyl)aniline;hydrochloride
PubChem CID54609342
Molecular FormulaC21H29ClN2
Molecular Weight344.93 g/mol
Exact Mass344.20
IUPAC NameN,N-dimethyl-4-(2-phenyl-1-piperidin-1-ylethyl)aniline;hydrochloride
SMILESCN(C)c1ccc(C(Cc2ccccc2)N2CCCCC2)cc1.Cl
InChIInChI=1S/C21H28N2.ClH/c1-22(2)20-13-11-19(12-14-20)21(23-15-7-4-8-16-23)17-18-9-5-3-6-10-18;/h3,5-6,9-14,21H,4,7-8,15-17H2,1-2H3;1H
InChIKeyKQLFBLOZQLRFOJ-UHFFFAOYSA-N
XLogP4.94
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.93
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-(2-amino-1-piperidin-1-ylethyl)-N,N-dimethylaniline
CID 16642839
1-[1-(4-methoxyphenyl)-2-phenylethyl]pyrrolidine
CID 101409454
3-[4-(dimethylamino)phenyl]-1-phenyl-3-piperidin-1-ylpropan-1-one
CID 71324369
3-[4-(dimethylamino)phenyl]-3-pyrrolidin-1-ylpropanoic acid
CID 82133328
N'-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N-(2-phenylethyl)oxamide
CID 18583589
N'-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N-(3-phenylpropyl)oxamide
CID 7639481
1-[(1R)-1-phenylpropyl]azepane
CID 97315480
1-(1-phenylpropan-2-yl)piperidine
CID 11321650
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]methanesulfonamide
CID 7497982
N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-2-methylbenzenesulfonamide
CID 43956561
1-benzyl-4-[(1R)-1,2-diphenylethyl]piperazine
CID 71276997
N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]cyclohexanecarboxamide
CID 43956108

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(2-phenyl-1-piperidin-1-ylethyl)aniline;hydrochloride?
The IUPAC name of N,N-dimethyl-4-(2-phenyl-1-piperidin-1-ylethyl)aniline;hydrochloride (CID 54609342) is N,N-dimethyl-4-(2-phenyl-1-piperidin-1-ylethyl)aniline;hydrochloride.
What is the SMILES notation for N,N-dimethyl-4-(2-phenyl-1-piperidin-1-ylethyl)aniline;hydrochloride?
The canonical SMILES for N,N-dimethyl-4-(2-phenyl-1-piperidin-1-ylethyl)aniline;hydrochloride is CN(C)c1ccc(C(Cc2ccccc2)N2CCCCC2)cc1.Cl.
What is the InChIKey of N,N-dimethyl-4-(2-phenyl-1-piperidin-1-ylethyl)aniline;hydrochloride?
The InChIKey is KQLFBLOZQLRFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2.ClH/c1-22(2)20-13-11-19(12-14-20)21(23-15-7-4-8-16-23)17-18-9-5-3-6-10-18;/h3,5-6,9-14,21H,4,7-8,15-17H2,1-2H3;1H.
What are the key properties of N,N-dimethyl-4-(2-phenyl-1-piperidin-1-ylethyl)aniline;hydrochloride?
N,N-dimethyl-4-(2-phenyl-1-piperidin-1-ylethyl)aniline;hydrochloride has a molecular weight of 344.93 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(2-phenyl-1-piperidin-1-ylethyl)aniline;hydrochloride is sourced from PubChem (CID 54609342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).