2-[2-[(3,3-dimethylpiperidin-1-yl)methyl]phenyl]-N-methylethanamine

C17H28N2 — CID 115464149

IUPAC2-[2-[(3,3-dimethylpiperidin-1-yl)methyl]phenyl]-N-methylethanamine
SMILESCNCCc1ccccc1CN1CCCC(C)(C)C1
InChIInChI=1S/C17H28N2/c1-17(2)10-6-12-19(14-17)13-16-8-5-4-7-15(16)9-11-18-3/h4-5,7-8,18H,6,9-14H2,1-3H3
InChIKeySZZGYJFTYIVROA-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.07
Rot. Bonds5

About 2-[2-[(3,3-dimethylpiperidin-1-yl)methyl]phenyl]-N-methylethanamine

2-[2-[(3,3-dimethylpiperidin-1-yl)methyl]phenyl]-N-methylethanamine (PubChem CID 115464149) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-[2-[(3,3-dimethylpiperidin-1-yl)methyl]phenyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-[(3,3-dimethylpiperidin-1-yl)methyl]phenyl]-N-methylethanamine
PubChem CID115464149
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2-[2-[(3,3-dimethylpiperidin-1-yl)methyl]phenyl]-N-methylethanamine
SMILESCNCCc1ccccc1CN1CCCC(C)(C)C1
InChIInChI=1S/C17H28N2/c1-17(2)10-6-12-19(14-17)13-16-8-5-4-7-15(16)9-11-18-3/h4-5,7-8,18H,6,9-14H2,1-3H3
InChIKeySZZGYJFTYIVROA-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[(3-ethylpiperidin-1-yl)methyl]phenyl]-N-methylethanamine
CID 115463747
2-[4-[(3,3-dimethylpiperidin-1-yl)methyl]phenyl]-N-ethylethanamine
CID 105347818
2-[2-[(3,3-dimethylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide
CID 115465549
2-[2-(azocan-1-ylmethyl)phenyl]-N-ethylethanamine
CID 115463559
4-[(3,3-dimethylpiperidin-1-yl)methyl]-1-propan-2-ylisoquinoline
CID 170588954
[2-[(3,3-dimethylpiperidin-1-yl)methyl]-3-pyridinyl]methanamine
CID 114199075
2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)phenyl]-N-methylethanamine
CID 115463479
N-methyl-2-[2-(1-methylcyclopropyl)phenyl]ethanamine
CID 90695269
N-[2-[2-[(2,2-dimethylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-2-amine
CID 115464064
2-methyl-N-[2-[2-(pyrrolidin-1-ylmethyl)phenyl]ethyl]propan-1-amine
CID 115463424
methyl 2-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]benzoate
CID 115883276
1-[[5-methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-3,3-dimethylpiperidine
CID 113249561

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,3-dimethylpiperidin-1-yl)methyl]phenyl]-N-methylethanamine?
The IUPAC name of 2-[2-[(3,3-dimethylpiperidin-1-yl)methyl]phenyl]-N-methylethanamine (CID 115464149) is 2-[2-[(3,3-dimethylpiperidin-1-yl)methyl]phenyl]-N-methylethanamine.
What is the SMILES notation for 2-[2-[(3,3-dimethylpiperidin-1-yl)methyl]phenyl]-N-methylethanamine?
The canonical SMILES for 2-[2-[(3,3-dimethylpiperidin-1-yl)methyl]phenyl]-N-methylethanamine is CNCCc1ccccc1CN1CCCC(C)(C)C1.
What is the InChIKey of 2-[2-[(3,3-dimethylpiperidin-1-yl)methyl]phenyl]-N-methylethanamine?
The InChIKey is SZZGYJFTYIVROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-17(2)10-6-12-19(14-17)13-16-8-5-4-7-15(16)9-11-18-3/h4-5,7-8,18H,6,9-14H2,1-3H3.
What are the key properties of 2-[2-[(3,3-dimethylpiperidin-1-yl)methyl]phenyl]-N-methylethanamine?
2-[2-[(3,3-dimethylpiperidin-1-yl)methyl]phenyl]-N-methylethanamine has a molecular weight of 260.43 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,3-dimethylpiperidin-1-yl)methyl]phenyl]-N-methylethanamine is sourced from PubChem (CID 115464149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).