1-(4-chloro-3-methylphenyl)piperidin-4-amine;ethane;propane

C17H31ClN2 — CID 145194619

IUPAC1-(4-chloro-3-methylphenyl)piperidin-4-amine;ethane;propane
SMILESCC.CCC.Cc1cc(N2CCC(N)CC2)ccc1Cl
InChIInChI=1S/C12H17ClN2.C3H8.C2H6/c1-9-8-11(2-3-12(9)13)15-6-4-10(14)5-7-15;1-3-2;1-2/h2-3,8,10H,4-7,14H2,1H3;3H2,1-2H3;1-2H3
InChIKeyWIOYWDPMTDVIOF-UHFFFAOYSA-N
MW298.90 g/mol
LogP5.02
Rot. Bonds1

About 1-(4-chloro-3-methylphenyl)piperidin-4-amine;ethane;propane

1-(4-chloro-3-methylphenyl)piperidin-4-amine;ethane;propane (PubChem CID 145194619) has the molecular formula C17H31ClN2 and a molecular weight of 298.90 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenyl)piperidin-4-amine;ethane;propane.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenyl)piperidin-4-amine;ethane;propane
PubChem CID145194619
Molecular FormulaC17H31ClN2
Molecular Weight298.90 g/mol
Exact Mass298.22
IUPAC Name1-(4-chloro-3-methylphenyl)piperidin-4-amine;ethane;propane
SMILESCC.CCC.Cc1cc(N2CCC(N)CC2)ccc1Cl
InChIInChI=1S/C12H17ClN2.C3H8.C2H6/c1-9-8-11(2-3-12(9)13)15-6-4-10(14)5-7-15;1-3-2;1-2/h2-3,8,10H,4-7,14H2,1H3;3H2,1-2H3;1-2H3
InChIKeyWIOYWDPMTDVIOF-UHFFFAOYSA-N
XLogP5.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.90
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethoxy-3-methylphenyl)piperidin-4-amine
CID 63214437
4-[2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine
CID 68811439
1-[4-[3-(dimethylamino)propoxy]-3-methylphenyl]piperidin-4-amine
CID 114526509
1-(4-cyclohexyloxy-3-methylphenyl)piperidin-4-amine
CID 63214524
1-(4-methyl-3-nitrophenyl)piperidin-4-amine
CID 62910930
3-chloro-4-[1-(4-chloro-3-methylphenyl)pyrrolidin-3-yl]oxyaniline
CID 137455260
1-[4-(chloromethyl)-3-methylphenyl]-4-propan-2-ylpiperidine
CID 103498686
4-[4-[2-(4-chloro-3-methylphenoxy)ethyl]piperidin-1-yl]phenol
CID 70873667
tert-butyl 4-(4-chloro-3-methylphenyl)piperazine-1-carboxylate;ethane
CID 143766632
2-(4-chloro-3-methylphenyl)-1-methylpiperidin-4-amine
CID 165457750
1-(3-chloro-4-methoxyphenyl)pyrrolidin-3-amine
CID 60860962
1-(3-chloro-4-methylphenyl)piperidine-4-carbonitrile
CID 117003345

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenyl)piperidin-4-amine;ethane;propane?
The IUPAC name of 1-(4-chloro-3-methylphenyl)piperidin-4-amine;ethane;propane (CID 145194619) is 1-(4-chloro-3-methylphenyl)piperidin-4-amine;ethane;propane.
What is the SMILES notation for 1-(4-chloro-3-methylphenyl)piperidin-4-amine;ethane;propane?
The canonical SMILES for 1-(4-chloro-3-methylphenyl)piperidin-4-amine;ethane;propane is CC.CCC.Cc1cc(N2CCC(N)CC2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methylphenyl)piperidin-4-amine;ethane;propane?
The InChIKey is WIOYWDPMTDVIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2.C3H8.C2H6/c1-9-8-11(2-3-12(9)13)15-6-4-10(14)5-7-15;1-3-2;1-2/h2-3,8,10H,4-7,14H2,1H3;3H2,1-2H3;1-2H3.
What are the key properties of 1-(4-chloro-3-methylphenyl)piperidin-4-amine;ethane;propane?
1-(4-chloro-3-methylphenyl)piperidin-4-amine;ethane;propane has a molecular weight of 298.90 g/mol, XLogP of 5.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methylphenyl)piperidin-4-amine;ethane;propane is sourced from PubChem (CID 145194619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).