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

C18H30N2O — CID 43791734

IUPAC1-piperidin-1-yl-N-[(2-propan-2-yloxyphenyl)methyl]propan-2-amine
SMILESCC(CN1CCCCC1)NCc1ccccc1OC(C)C
InChIInChI=1S/C18H30N2O/c1-15(2)21-18-10-6-5-9-17(18)13-19-16(3)14-20-11-7-4-8-12-20/h5-6,9-10,15-16,19H,4,7-8,11-14H2,1-3H3
InChIKeyCIJDDUYBFXNULD-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.44
Rot. Bonds7

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

1-piperidin-1-yl-N-[(2-propan-2-yloxyphenyl)methyl]propan-2-amine (PubChem CID 43791734) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-piperidin-1-yl-N-[(2-propan-2-yloxyphenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-piperidin-1-yl-N-[(2-propan-2-yloxyphenyl)methyl]propan-2-amine
PubChem CID43791734
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-piperidin-1-yl-N-[(2-propan-2-yloxyphenyl)methyl]propan-2-amine
SMILESCC(CN1CCCCC1)NCc1ccccc1OC(C)C
InChIInChI=1S/C18H30N2O/c1-15(2)21-18-10-6-5-9-17(18)13-19-16(3)14-20-11-7-4-8-12-20/h5-6,9-10,15-16,19H,4,7-8,11-14H2,1-3H3
InChIKeyCIJDDUYBFXNULD-UHFFFAOYSA-N
XLogP3.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-piperidin-1-yl-N-[(2-propan-2-yloxyphenyl)methyl]propan-2-amine 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-[(2-ethylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 55067398
2-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]phenol
CID 54953010
2-piperidin-1-yl-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 60760080
N-[[2-(difluoromethoxy)phenyl]methyl]-1-morpholin-4-ylpropan-2-amine
CID 43675802
1-piperidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine
CID 43435870
N-[(2-propan-2-yloxyphenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 43225581
N-[(2,3-difluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 54938186
N-[(4-propan-2-yloxyphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61223769
N-[(2-propan-2-yloxyphenyl)methyl]pent-4-en-2-amine
CID 115633108
N-(1-benzofuran-3-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 80701226
N-[(2-propan-2-yloxyphenyl)methyl]-2-pyrrolidin-1-ylpropan-1-amine
CID 112727650
N-[(2-propan-2-yloxyphenyl)methyl]morpholin-4-amine
CID 83011368

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-N-[(2-propan-2-yloxyphenyl)methyl]propan-2-amine?
The IUPAC name of 1-piperidin-1-yl-N-[(2-propan-2-yloxyphenyl)methyl]propan-2-amine (CID 43791734) is 1-piperidin-1-yl-N-[(2-propan-2-yloxyphenyl)methyl]propan-2-amine.
What is the SMILES notation for 1-piperidin-1-yl-N-[(2-propan-2-yloxyphenyl)methyl]propan-2-amine?
The canonical SMILES for 1-piperidin-1-yl-N-[(2-propan-2-yloxyphenyl)methyl]propan-2-amine is CC(CN1CCCCC1)NCc1ccccc1OC(C)C.
What is the InChIKey of 1-piperidin-1-yl-N-[(2-propan-2-yloxyphenyl)methyl]propan-2-amine?
The InChIKey is CIJDDUYBFXNULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-15(2)21-18-10-6-5-9-17(18)13-19-16(3)14-20-11-7-4-8-12-20/h5-6,9-10,15-16,19H,4,7-8,11-14H2,1-3H3.
What are the key properties of 1-piperidin-1-yl-N-[(2-propan-2-yloxyphenyl)methyl]propan-2-amine?
1-piperidin-1-yl-N-[(2-propan-2-yloxyphenyl)methyl]propan-2-amine has a molecular weight of 290.45 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-N-[(2-propan-2-yloxyphenyl)methyl]propan-2-amine is sourced from PubChem (CID 43791734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).