N-[(3-bromo-4-methoxyphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine

C17H27BrN2O — CID 106625257

IUPACN-[(3-bromo-4-methoxyphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
SMILESCCCN(Cc1ccc(OC)c(Br)c1)CC1CCCNC1
InChIInChI=1S/C17H27BrN2O/c1-3-9-20(13-15-5-4-8-19-11-15)12-14-6-7-17(21-2)16(18)10-14/h6-7,10,15,19H,3-5,8-9,11-13H2,1-2H3
InChIKeyNSVVJMNJMIZBEK-UHFFFAOYSA-N
MW355.32 g/mol
LogP3.67
Rot. Bonds7

About N-[(3-bromo-4-methoxyphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine

N-[(3-bromo-4-methoxyphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine (PubChem CID 106625257) has the molecular formula C17H27BrN2O and a molecular weight of 355.32 g/mol. Its IUPAC name is N-[(3-bromo-4-methoxyphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-[(3-bromo-4-methoxyphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
PubChem CID106625257
Molecular FormulaC17H27BrN2O
Molecular Weight355.32 g/mol
Exact Mass354.13
IUPAC NameN-[(3-bromo-4-methoxyphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
SMILESCCCN(Cc1ccc(OC)c(Br)c1)CC1CCCNC1
InChIInChI=1S/C17H27BrN2O/c1-3-9-20(13-15-5-4-8-19-11-15)12-14-6-7-17(21-2)16(18)10-14/h6-7,10,15,19H,3-5,8-9,11-13H2,1-2H3
InChIKeyNSVVJMNJMIZBEK-UHFFFAOYSA-N
XLogP3.67
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-bromo-4-methoxyphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-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-[(4-methoxy-3-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625212
N-[(3-bromo-4-methoxyphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624874
N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625448
N-benzyl-N-[[(3S)-piperidin-3-yl]methyl]propan-1-amine
CID 129381793
4-[[piperidin-3-ylmethyl(propyl)amino]methyl]benzonitrile
CID 106625307
N-[(5-bromo-3-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625380
4-methoxy-2-[[piperidin-3-ylmethyl(propyl)amino]methyl]phenol
CID 106625159
1-(3-bromo-4-methoxyphenyl)-3-piperidin-3-ylpropan-2-one
CID 116564329
N-[[3-(difluoromethyl)phenyl]methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625184
N-[(3-bromo-4-methoxyphenyl)methyl]-2-piperidin-3-ylethanamine
CID 115211362
4-bromo-2-[[piperidin-3-ylmethyl(propyl)amino]methyl]phenol
CID 107739212
4-[[piperidin-3-ylmethyl(propyl)amino]methyl]benzamide
CID 106640797

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-methoxyphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine?
The IUPAC name of N-[(3-bromo-4-methoxyphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine (CID 106625257) is N-[(3-bromo-4-methoxyphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine.
What is the SMILES notation for N-[(3-bromo-4-methoxyphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine?
The canonical SMILES for N-[(3-bromo-4-methoxyphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine is CCCN(Cc1ccc(OC)c(Br)c1)CC1CCCNC1.
What is the InChIKey of N-[(3-bromo-4-methoxyphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine?
The InChIKey is NSVVJMNJMIZBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2O/c1-3-9-20(13-15-5-4-8-19-11-15)12-14-6-7-17(21-2)16(18)10-14/h6-7,10,15,19H,3-5,8-9,11-13H2,1-2H3.
What are the key properties of N-[(3-bromo-4-methoxyphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine?
N-[(3-bromo-4-methoxyphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine has a molecular weight of 355.32 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-methoxyphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 106625257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).