1-(2-aminoethyl)-N-methyl-N-[(2-methylphenyl)methyl]piperidin-4-amine

C16H27N3 — CID 117041756

IUPAC1-(2-aminoethyl)-N-methyl-N-[(2-methylphenyl)methyl]piperidin-4-amine
SMILESCc1ccccc1CN(C)C1CCN(CCN)CC1
InChIInChI=1S/C16H27N3/c1-14-5-3-4-6-15(14)13-18(2)16-7-10-19(11-8-16)12-9-17/h3-6,16H,7-13,17H2,1-2H3
InChIKeyRLPJLQHRPYHSOD-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.85
Rot. Bonds5

About 1-(2-aminoethyl)-N-methyl-N-[(2-methylphenyl)methyl]piperidin-4-amine

1-(2-aminoethyl)-N-methyl-N-[(2-methylphenyl)methyl]piperidin-4-amine (PubChem CID 117041756) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-methyl-N-[(2-methylphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-methyl-N-[(2-methylphenyl)methyl]piperidin-4-amine
PubChem CID117041756
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-(2-aminoethyl)-N-methyl-N-[(2-methylphenyl)methyl]piperidin-4-amine
SMILESCc1ccccc1CN(C)C1CCN(CCN)CC1
InChIInChI=1S/C16H27N3/c1-14-5-3-4-6-15(14)13-18(2)16-7-10-19(11-8-16)12-9-17/h3-6,16H,7-13,17H2,1-2H3
InChIKeyRLPJLQHRPYHSOD-UHFFFAOYSA-N
XLogP1.85
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-aminoethyl)-N-benzyl-N-ethylpiperidin-4-amine
CID 71301853
2-[[methyl-(1-propylpiperidin-4-yl)amino]methyl]benzonitrile
CID 56785970
1-N,3-N-dimethyl-3-N-[(2-methylphenyl)methyl]cyclopentane-1,3-diamine
CID 79643894
2-(4-aminopiperidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 43556426
N-methyl-N-[2-(2-methylphenyl)ethyl]cyclopropanamine
CID 67231400
N-[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]-N-phenylacetamide
CID 22294993
1-(2-aminoethyl)-N-butyl-N-methylpiperidin-4-amine
CID 117038230
2-(4-hydroxy-3-methylpiperidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 114681183
N-benzyl-1-[(2-fluorophenyl)methyl]-N-methylpiperidin-4-amine
CID 754214
tert-butyl (3S)-3-[methyl-[(2-methylphenyl)methyl]amino]pyrrolidine-1-carboxylate
CID 59891400
2-[[[4-[(2-hydroxyphenyl)methyl-methylamino]cyclohexyl]-methylamino]methyl]phenol
CID 118815979
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 78963394

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-methyl-N-[(2-methylphenyl)methyl]piperidin-4-amine?
The IUPAC name of 1-(2-aminoethyl)-N-methyl-N-[(2-methylphenyl)methyl]piperidin-4-amine (CID 117041756) is 1-(2-aminoethyl)-N-methyl-N-[(2-methylphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-(2-aminoethyl)-N-methyl-N-[(2-methylphenyl)methyl]piperidin-4-amine?
The canonical SMILES for 1-(2-aminoethyl)-N-methyl-N-[(2-methylphenyl)methyl]piperidin-4-amine is Cc1ccccc1CN(C)C1CCN(CCN)CC1.
What is the InChIKey of 1-(2-aminoethyl)-N-methyl-N-[(2-methylphenyl)methyl]piperidin-4-amine?
The InChIKey is RLPJLQHRPYHSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-14-5-3-4-6-15(14)13-18(2)16-7-10-19(11-8-16)12-9-17/h3-6,16H,7-13,17H2,1-2H3.
What are the key properties of 1-(2-aminoethyl)-N-methyl-N-[(2-methylphenyl)methyl]piperidin-4-amine?
1-(2-aminoethyl)-N-methyl-N-[(2-methylphenyl)methyl]piperidin-4-amine has a molecular weight of 261.41 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-methyl-N-[(2-methylphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 117041756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).