N-[[4-(3,5-dimethylpiperidin-1-yl)-3-methylphenyl]methyl]propan-1-amine

C18H30N2 — CID 62121174

IUPACN-[[4-(3,5-dimethylpiperidin-1-yl)-3-methylphenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(N2CC(C)CC(C)C2)c(C)c1
InChIInChI=1S/C18H30N2/c1-5-8-19-11-17-6-7-18(16(4)10-17)20-12-14(2)9-15(3)13-20/h6-7,10,14-15,19H,5,8-9,11-13H2,1-4H3
InChIKeyWMFZSLJAPNFLNO-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.98
Rot. Bonds5

About N-[[4-(3,5-dimethylpiperidin-1-yl)-3-methylphenyl]methyl]propan-1-amine

N-[[4-(3,5-dimethylpiperidin-1-yl)-3-methylphenyl]methyl]propan-1-amine (PubChem CID 62121174) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[[4-(3,5-dimethylpiperidin-1-yl)-3-methylphenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(3,5-dimethylpiperidin-1-yl)-3-methylphenyl]methyl]propan-1-amine
PubChem CID62121174
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[[4-(3,5-dimethylpiperidin-1-yl)-3-methylphenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(N2CC(C)CC(C)C2)c(C)c1
InChIInChI=1S/C18H30N2/c1-5-8-19-11-17-6-7-18(16(4)10-17)20-12-14(2)9-15(3)13-20/h6-7,10,14-15,19H,5,8-9,11-13H2,1-4H3
InChIKeyWMFZSLJAPNFLNO-UHFFFAOYSA-N
XLogP3.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-chloro-4-(3,5-dimethylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 81149134
N-[[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-methylphenyl]methyl]propan-1-amine
CID 115560709
N,N,4-trimethyl-1-[2-methyl-4-(propylaminomethyl)phenyl]pyrrolidin-3-amine
CID 81464802
4-[2-methyl-4-(propylaminomethyl)phenyl]piperazine-2,6-dione
CID 66085155
N-[[4-(4-ethoxypiperidin-1-yl)-3-methylphenyl]methyl]propan-1-amine
CID 62121726
4-[2-methyl-4-(propylaminomethyl)phenyl]piperazin-2-one
CID 62120487
2-methoxy-N-[[3-methyl-4-(4-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 63058712
N-[[2-chloro-6-(3,5-dimethylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 43281049
[1-[2-methyl-4-(propylaminomethyl)phenyl]piperidin-2-yl]methanol
CID 62121881
1-[4-(ethylaminomethyl)-2-methylphenyl]-4-methylpiperidin-3-ol
CID 102960877
N-[[3-chloro-4-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]propan-1-amine
CID 81144404
N-[[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]methyl]-2-methoxyethanamine
CID 63060255

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,5-dimethylpiperidin-1-yl)-3-methylphenyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(3,5-dimethylpiperidin-1-yl)-3-methylphenyl]methyl]propan-1-amine (CID 62121174) is N-[[4-(3,5-dimethylpiperidin-1-yl)-3-methylphenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(3,5-dimethylpiperidin-1-yl)-3-methylphenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(3,5-dimethylpiperidin-1-yl)-3-methylphenyl]methyl]propan-1-amine is CCCNCc1ccc(N2CC(C)CC(C)C2)c(C)c1.
What is the InChIKey of N-[[4-(3,5-dimethylpiperidin-1-yl)-3-methylphenyl]methyl]propan-1-amine?
The InChIKey is WMFZSLJAPNFLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-5-8-19-11-17-6-7-18(16(4)10-17)20-12-14(2)9-15(3)13-20/h6-7,10,14-15,19H,5,8-9,11-13H2,1-4H3.
What are the key properties of N-[[4-(3,5-dimethylpiperidin-1-yl)-3-methylphenyl]methyl]propan-1-amine?
N-[[4-(3,5-dimethylpiperidin-1-yl)-3-methylphenyl]methyl]propan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,5-dimethylpiperidin-1-yl)-3-methylphenyl]methyl]propan-1-amine is sourced from PubChem (CID 62121174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).