N-[[2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine

C18H30N2 — CID 114594233

IUPACN-[[2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine
SMILESCC1CC(C)C(C)N(c2ccccc2CNC(C)C)C1
InChIInChI=1S/C18H30N2/c1-13(2)19-11-17-8-6-7-9-18(17)20-12-14(3)10-15(4)16(20)5/h6-9,13-16,19H,10-12H2,1-5H3
InChIKeyRHZIFWXBHDYETF-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.06
Rot. Bonds4

About N-[[2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine

N-[[2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine (PubChem CID 114594233) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[[2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine
PubChem CID114594233
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[[2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine
SMILESCC1CC(C)C(C)N(c2ccccc2CNC(C)C)C1
InChIInChI=1S/C18H30N2/c1-13(2)19-11-17-8-6-7-9-18(17)20-12-14(3)10-15(4)16(20)5/h6-9,13-16,19H,10-12H2,1-5H3
InChIKeyRHZIFWXBHDYETF-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(2,4-dimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 62331056
(1S)-1-[2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanol
CID 104939735
N-[[2-(3-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine
CID 43542425
N-[[2-(1,3-dihydroisoindol-2-yl)phenyl]methyl]propan-2-amine
CID 62205562
2-methyl-N-[[4-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 114596976
N-[[2-(azepan-1-yl)phenyl]methyl]propan-2-amine
CID 43280522
N-[(2-piperidin-1-ylphenyl)methyl]propan-2-amine
CID 43213770
N-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]propan-2-amine
CID 66394076
N-[[5-(2,3,5-trimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 106965442
N-[[2-(2-ethylazepan-1-yl)phenyl]methyl]propan-2-amine
CID 104690764
1-[2-[(propan-2-ylamino)methyl]phenyl]pyrrolidine-2-carboxamide
CID 43281467
N-[[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)phenyl]methyl]propan-2-amine
CID 43620593

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine (CID 114594233) is N-[[2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine is CC1CC(C)C(C)N(c2ccccc2CNC(C)C)C1.
What is the InChIKey of N-[[2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine?
The InChIKey is RHZIFWXBHDYETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-13(2)19-11-17-8-6-7-9-18(17)20-12-14(3)10-15(4)16(20)5/h6-9,13-16,19H,10-12H2,1-5H3.
What are the key properties of N-[[2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine?
N-[[2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine has a molecular weight of 274.45 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 114594233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).