3-(aminomethyl)-1-(4-ethylphenyl)-N,N-dimethylpiperidin-3-amine

C16H27N3 — CID 117012738

IUPAC3-(aminomethyl)-1-(4-ethylphenyl)-N,N-dimethylpiperidin-3-amine
SMILESCCc1ccc(N2CCCC(CN)(N(C)C)C2)cc1
InChIInChI=1S/C16H27N3/c1-4-14-6-8-15(9-7-14)19-11-5-10-16(12-17,13-19)18(2)3/h6-9H,4-5,10-13,17H2,1-3H3
InChIKeyRDNFGWXLIYBDTC-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.11
Rot. Bonds4

About 3-(aminomethyl)-1-(4-ethylphenyl)-N,N-dimethylpiperidin-3-amine

3-(aminomethyl)-1-(4-ethylphenyl)-N,N-dimethylpiperidin-3-amine (PubChem CID 117012738) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-(aminomethyl)-1-(4-ethylphenyl)-N,N-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-1-(4-ethylphenyl)-N,N-dimethylpiperidin-3-amine
PubChem CID117012738
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name3-(aminomethyl)-1-(4-ethylphenyl)-N,N-dimethylpiperidin-3-amine
SMILESCCc1ccc(N2CCCC(CN)(N(C)C)C2)cc1
InChIInChI=1S/C16H27N3/c1-4-14-6-8-15(9-7-14)19-11-5-10-16(12-17,13-19)18(2)3/h6-9H,4-5,10-13,17H2,1-3H3
InChIKeyRDNFGWXLIYBDTC-UHFFFAOYSA-N
XLogP2.11
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(aminomethyl)-1-(4-ethylphenyl)-N,N-dimethylpyrrolidin-3-amine
CID 117012470
3-(aminomethyl)-N,N-dimethyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-amine
CID 117012473
[1-(4-chlorophenyl)-3-(dimethylamino)piperidin-3-yl]methanol
CID 117012686
1-(4-ethylphenyl)-3-methylpiperidine-3-carboxylic acid
CID 117011718
[4-[4-(4-ethylphenyl)piperazin-1-yl]phenyl]methanamine
CID 71009970
3-amino-1-(4-ethylphenyl)pyrrolidine-3-carbonitrile
CID 117012971
1-(4-ethylphenyl)-4,4-dimethyl-1,5-diazocane
CID 117014650
1-(aminomethyl)-N-ethyl-N-[(4-ethylphenyl)methyl]cycloheptan-1-amine
CID 63480828
3-(aminomethyl)-1-(2-chlorophenyl)-N,N-dimethylpyrrolidin-3-amine
CID 117012477
4-(4-ethylphenyl)morpholine
CID 20576442
butane;ethane;1-(4-ethylphenyl)-4-methylpiperazine
CID 143709843
3-[4-(4-ethylphenyl)piperazin-1-yl]propan-1-amine
CID 82017690

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-(4-ethylphenyl)-N,N-dimethylpiperidin-3-amine?
The IUPAC name of 3-(aminomethyl)-1-(4-ethylphenyl)-N,N-dimethylpiperidin-3-amine (CID 117012738) is 3-(aminomethyl)-1-(4-ethylphenyl)-N,N-dimethylpiperidin-3-amine.
What is the SMILES notation for 3-(aminomethyl)-1-(4-ethylphenyl)-N,N-dimethylpiperidin-3-amine?
The canonical SMILES for 3-(aminomethyl)-1-(4-ethylphenyl)-N,N-dimethylpiperidin-3-amine is CCc1ccc(N2CCCC(CN)(N(C)C)C2)cc1.
What is the InChIKey of 3-(aminomethyl)-1-(4-ethylphenyl)-N,N-dimethylpiperidin-3-amine?
The InChIKey is RDNFGWXLIYBDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-4-14-6-8-15(9-7-14)19-11-5-10-16(12-17,13-19)18(2)3/h6-9H,4-5,10-13,17H2,1-3H3.
What are the key properties of 3-(aminomethyl)-1-(4-ethylphenyl)-N,N-dimethylpiperidin-3-amine?
3-(aminomethyl)-1-(4-ethylphenyl)-N,N-dimethylpiperidin-3-amine has a molecular weight of 261.41 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-(4-ethylphenyl)-N,N-dimethylpiperidin-3-amine is sourced from PubChem (CID 117012738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).