2-methyl-N-[[4-(2-propylpiperidin-1-yl)phenyl]methyl]propan-2-amine

C19H32N2 — CID 83045363

IUPAC2-methyl-N-[[4-(2-propylpiperidin-1-yl)phenyl]methyl]propan-2-amine
SMILESCCCC1CCCCN1c1ccc(CNC(C)(C)C)cc1
InChIInChI=1S/C19H32N2/c1-5-8-17-9-6-7-14-21(17)18-12-10-16(11-13-18)15-20-19(2,3)4/h10-13,17,20H,5-9,14-15H2,1-4H3
InChIKeyKSHJANVBTGJDEW-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.73
Rot. Bonds5

About 2-methyl-N-[[4-(2-propylpiperidin-1-yl)phenyl]methyl]propan-2-amine

2-methyl-N-[[4-(2-propylpiperidin-1-yl)phenyl]methyl]propan-2-amine (PubChem CID 83045363) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 2-methyl-N-[[4-(2-propylpiperidin-1-yl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-(2-propylpiperidin-1-yl)phenyl]methyl]propan-2-amine
PubChem CID83045363
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name2-methyl-N-[[4-(2-propylpiperidin-1-yl)phenyl]methyl]propan-2-amine
SMILESCCCC1CCCCN1c1ccc(CNC(C)(C)C)cc1
InChIInChI=1S/C19H32N2/c1-5-8-17-9-6-7-14-21(17)18-12-10-16(11-13-18)15-20-19(2,3)4/h10-13,17,20H,5-9,14-15H2,1-4H3
InChIKeyKSHJANVBTGJDEW-UHFFFAOYSA-N
XLogP4.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

[1-[4-[(tert-butylamino)methyl]phenyl]pyrrolidin-2-yl]methanol
CID 63059898
2-methyl-N-[[6-(2-propylpiperidin-1-yl)-2-pyridinyl]methyl]propan-2-amine
CID 83045593
N-[[4-(azocan-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63061073
N-[[4-(2-ethylpiperidin-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 63060904
N-[[4-[(2-ethylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62439339
2-chloro-4-(2-propylpiperidin-1-yl)pyridine
CID 104577128
4-(2-butylazepan-1-yl)aniline
CID 23103802
N-[[4-(2-ethylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine
CID 54885642
[1-[4-[(chloroamino)methyl]phenyl]piperidin-2-yl]methanol
CID 88585225
[1-[4-[(tert-butylamino)methyl]-2-chlorophenyl]piperidin-2-yl]methanol
CID 81147829
1-[1-[4-[(tert-butylamino)methyl]phenyl]piperidin-4-yl]ethanol
CID 106836685
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 22251747

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(2-propylpiperidin-1-yl)phenyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[4-(2-propylpiperidin-1-yl)phenyl]methyl]propan-2-amine (CID 83045363) is 2-methyl-N-[[4-(2-propylpiperidin-1-yl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[4-(2-propylpiperidin-1-yl)phenyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[4-(2-propylpiperidin-1-yl)phenyl]methyl]propan-2-amine is CCCC1CCCCN1c1ccc(CNC(C)(C)C)cc1.
What is the InChIKey of 2-methyl-N-[[4-(2-propylpiperidin-1-yl)phenyl]methyl]propan-2-amine?
The InChIKey is KSHJANVBTGJDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-8-17-9-6-7-14-21(17)18-12-10-16(11-13-18)15-20-19(2,3)4/h10-13,17,20H,5-9,14-15H2,1-4H3.
What are the key properties of 2-methyl-N-[[4-(2-propylpiperidin-1-yl)phenyl]methyl]propan-2-amine?
2-methyl-N-[[4-(2-propylpiperidin-1-yl)phenyl]methyl]propan-2-amine has a molecular weight of 288.48 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(2-propylpiperidin-1-yl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 83045363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).