1-(4-ethylpiperidin-2-yl)-N-methyl-N-[(2-methylphenyl)methyl]methanamine

C17H28N2 — CID 114430836

IUPAC1-(4-ethylpiperidin-2-yl)-N-methyl-N-[(2-methylphenyl)methyl]methanamine
SMILESCCC1CCNC(CN(C)Cc2ccccc2C)C1
InChIInChI=1S/C17H28N2/c1-4-15-9-10-18-17(11-15)13-19(3)12-16-8-6-5-7-14(16)2/h5-8,15,17-18H,4,9-13H2,1-3H3
InChIKeyHILVDKFCALQOBH-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.21
Rot. Bonds5

About 1-(4-ethylpiperidin-2-yl)-N-methyl-N-[(2-methylphenyl)methyl]methanamine

1-(4-ethylpiperidin-2-yl)-N-methyl-N-[(2-methylphenyl)methyl]methanamine (PubChem CID 114430836) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-(4-ethylpiperidin-2-yl)-N-methyl-N-[(2-methylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-ethylpiperidin-2-yl)-N-methyl-N-[(2-methylphenyl)methyl]methanamine
PubChem CID114430836
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-(4-ethylpiperidin-2-yl)-N-methyl-N-[(2-methylphenyl)methyl]methanamine
SMILESCCC1CCNC(CN(C)Cc2ccccc2C)C1
InChIInChI=1S/C17H28N2/c1-4-15-9-10-18-17(11-15)13-19(3)12-16-8-6-5-7-14(16)2/h5-8,15,17-18H,4,9-13H2,1-3H3
InChIKeyHILVDKFCALQOBH-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylpiperidin-2-yl)-N-[(2-fluorophenyl)methyl]-N-methylmethanamine
CID 114430837
1-(azepan-2-yl)-N-methyl-N-[(2-methylphenyl)methyl]methanamine
CID 64569172
1-(4-ethylpiperidin-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine
CID 114430753
4-ethyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexan-1-one
CID 62613388
1-(4-ethylpiperidin-2-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 114430985
N-[(4-ethylpiperidin-2-yl)methyl]-N-methyl-2-pyridin-2-ylethanamine
CID 114430704
N-[(2-bromophenyl)methyl]-N-methyl-1-(4-methylpiperidin-2-yl)methanamine
CID 114421302
N-[(4-ethylpiperidin-2-yl)methyl]-N,2,2-trimethylpropan-1-amine
CID 114430998
1-[[(4-ethylpiperidin-2-yl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105421244
N-methyl-2-(2-methylphenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 115209429
N-[(4-ethylpiperidin-2-yl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
CID 114431138
N-[(4-ethylpiperidin-2-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine
CID 114431236

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperidin-2-yl)-N-methyl-N-[(2-methylphenyl)methyl]methanamine?
The IUPAC name of 1-(4-ethylpiperidin-2-yl)-N-methyl-N-[(2-methylphenyl)methyl]methanamine (CID 114430836) is 1-(4-ethylpiperidin-2-yl)-N-methyl-N-[(2-methylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(4-ethylpiperidin-2-yl)-N-methyl-N-[(2-methylphenyl)methyl]methanamine?
The canonical SMILES for 1-(4-ethylpiperidin-2-yl)-N-methyl-N-[(2-methylphenyl)methyl]methanamine is CCC1CCNC(CN(C)Cc2ccccc2C)C1.
What is the InChIKey of 1-(4-ethylpiperidin-2-yl)-N-methyl-N-[(2-methylphenyl)methyl]methanamine?
The InChIKey is HILVDKFCALQOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-15-9-10-18-17(11-15)13-19(3)12-16-8-6-5-7-14(16)2/h5-8,15,17-18H,4,9-13H2,1-3H3.
What are the key properties of 1-(4-ethylpiperidin-2-yl)-N-methyl-N-[(2-methylphenyl)methyl]methanamine?
1-(4-ethylpiperidin-2-yl)-N-methyl-N-[(2-methylphenyl)methyl]methanamine has a molecular weight of 260.43 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperidin-2-yl)-N-methyl-N-[(2-methylphenyl)methyl]methanamine is sourced from PubChem (CID 114430836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).