N-methyl-1-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-2-yl]methanamine

C17H28N2O — CID 63249708

IUPACN-methyl-1-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-2-yl]methanamine
SMILESCNCC1CCCCN1Cc1cccc(OC(C)C)c1
InChIInChI=1S/C17H28N2O/c1-14(2)20-17-9-6-7-15(11-17)13-19-10-5-4-8-16(19)12-18-3/h6-7,9,11,14,16,18H,4-5,8,10,12-13H2,1-3H3
InChIKeyUUWMVBJJZTUQPI-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.05
Rot. Bonds6

About N-methyl-1-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-2-yl]methanamine

N-methyl-1-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-2-yl]methanamine (PubChem CID 63249708) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-methyl-1-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-2-yl]methanamine
PubChem CID63249708
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-methyl-1-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-2-yl]methanamine
SMILESCNCC1CCCCN1Cc1cccc(OC(C)C)c1
InChIInChI=1S/C17H28N2O/c1-14(2)20-17-9-6-7-15(11-17)13-19-10-5-4-8-16(19)12-18-3/h6-7,9,11,14,16,18H,4-5,8,10,12-13H2,1-3H3
InChIKeyUUWMVBJJZTUQPI-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-[1-[(3-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119928485
1-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 55138843
N-[[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine
CID 62581473
1-[1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-2-yl]-N-methylmethanamine
CID 63249108
N-methyl-1-[1-[(3-phenylmethoxyphenyl)methyl]azetidin-2-yl]methanamine
CID 129211083
methyl 2-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]acetate
CID 62028081
3-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]benzamide;hydrochloride
CID 119928553
2-(chloromethyl)-1-[(3-methoxyphenyl)methyl]piperidine
CID 63386922
1-[1-[(4-fluoro-3-methylphenyl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 55168540
N-methyl-1-[1-[(3,4,5-trifluorophenyl)methyl]piperidin-2-yl]methanamine
CID 55168734
1-[1-[(6-methoxynaphthalen-2-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 115315996
3-amino-N-[[1-[(3-ethoxyphenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911453

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-2-yl]methanamine (CID 63249708) is N-methyl-1-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-2-yl]methanamine is CNCC1CCCCN1Cc1cccc(OC(C)C)c1.
What is the InChIKey of N-methyl-1-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-2-yl]methanamine?
The InChIKey is UUWMVBJJZTUQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14(2)20-17-9-6-7-15(11-17)13-19-10-5-4-8-16(19)12-18-3/h6-7,9,11,14,16,18H,4-5,8,10,12-13H2,1-3H3.
What are the key properties of N-methyl-1-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-2-yl]methanamine?
N-methyl-1-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-2-yl]methanamine has a molecular weight of 276.42 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 63249708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).