N,N-dimethyl-3-[4-(3-methylpiperidin-1-yl)phenyl]propan-1-amine;hydrochloride

C17H29ClN2 — CID 170866745

IUPACN,N-dimethyl-3-[4-(3-methylpiperidin-1-yl)phenyl]propan-1-amine;hydrochloride
SMILESCC1CCCN(c2ccc(CCCN(C)C)cc2)C1.Cl
InChIInChI=1S/C17H28N2.ClH/c1-15-6-4-13-19(14-15)17-10-8-16(9-11-17)7-5-12-18(2)3;/h8-11,15H,4-7,12-14H2,1-3H3;1H
InChIKeyJZIRBQMYZBIFGA-UHFFFAOYSA-N
MW296.89 g/mol
LogP3.84
Rot. Bonds5

About N,N-dimethyl-3-[4-(3-methylpiperidin-1-yl)phenyl]propan-1-amine;hydrochloride

N,N-dimethyl-3-[4-(3-methylpiperidin-1-yl)phenyl]propan-1-amine;hydrochloride (PubChem CID 170866745) has the molecular formula C17H29ClN2 and a molecular weight of 296.89 g/mol. Its IUPAC name is N,N-dimethyl-3-[4-(3-methylpiperidin-1-yl)phenyl]propan-1-amine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-3-[4-(3-methylpiperidin-1-yl)phenyl]propan-1-amine;hydrochloride
PubChem CID170866745
Molecular FormulaC17H29ClN2
Molecular Weight296.89 g/mol
Exact Mass296.20
IUPAC NameN,N-dimethyl-3-[4-(3-methylpiperidin-1-yl)phenyl]propan-1-amine;hydrochloride
SMILESCC1CCCN(c2ccc(CCCN(C)C)cc2)C1.Cl
InChIInChI=1S/C17H28N2.ClH/c1-15-6-4-13-19(14-15)17-10-8-16(9-11-17)7-5-12-18(2)3;/h8-11,15H,4-7,12-14H2,1-3H3;1H
InChIKeyJZIRBQMYZBIFGA-UHFFFAOYSA-N
XLogP3.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.89
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(3-methylpiperidin-1-yl)phenyl]methanamine;dihydrochloride
CID 75485261
1-[4-(3-methylpiperidin-1-yl)phenyl]propan-2-amine
CID 63786246
N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]cyclopropanecarboxamide
CID 100610781
4-(3-methylazepan-1-yl)aniline
CID 23103826
(3R)-3-methyl-1-(4-nitrophenyl)piperidine
CID 7212381
N'-[4-(3-methylpiperidin-1-yl)phenyl]butane-1,4-diamine
CID 83960848
3-(4-methylphenyl)-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]propanamide
CID 132654688
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]acetamide
CID 125054329
3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-N,N-dimethylpropan-1-amine
CID 170865824
N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide
CID 53278603
[4-(4-methylazepan-1-yl)phenyl]methanol
CID 63622804
4-(3,5-dimethyl-N-methylsulfonylanilino)-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]butanamide
CID 125058011

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[4-(3-methylpiperidin-1-yl)phenyl]propan-1-amine;hydrochloride?
The IUPAC name of N,N-dimethyl-3-[4-(3-methylpiperidin-1-yl)phenyl]propan-1-amine;hydrochloride (CID 170866745) is N,N-dimethyl-3-[4-(3-methylpiperidin-1-yl)phenyl]propan-1-amine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-3-[4-(3-methylpiperidin-1-yl)phenyl]propan-1-amine;hydrochloride?
The canonical SMILES for N,N-dimethyl-3-[4-(3-methylpiperidin-1-yl)phenyl]propan-1-amine;hydrochloride is CC1CCCN(c2ccc(CCCN(C)C)cc2)C1.Cl.
What is the InChIKey of N,N-dimethyl-3-[4-(3-methylpiperidin-1-yl)phenyl]propan-1-amine;hydrochloride?
The InChIKey is JZIRBQMYZBIFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2.ClH/c1-15-6-4-13-19(14-15)17-10-8-16(9-11-17)7-5-12-18(2)3;/h8-11,15H,4-7,12-14H2,1-3H3;1H.
What are the key properties of N,N-dimethyl-3-[4-(3-methylpiperidin-1-yl)phenyl]propan-1-amine;hydrochloride?
N,N-dimethyl-3-[4-(3-methylpiperidin-1-yl)phenyl]propan-1-amine;hydrochloride has a molecular weight of 296.89 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[4-(3-methylpiperidin-1-yl)phenyl]propan-1-amine;hydrochloride is sourced from PubChem (CID 170866745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).