N-[(5-bromo-3-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine

C15H24BrN3 — CID 106625380

IUPACN-[(5-bromo-3-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
SMILESCCCN(Cc1cncc(Br)c1)CC1CCCNC1
InChIInChI=1S/C15H24BrN3/c1-2-6-19(11-13-4-3-5-17-8-13)12-14-7-15(16)10-18-9-14/h7,9-10,13,17H,2-6,8,11-12H2,1H3
InChIKeyCPSNMTONIXAGRE-UHFFFAOYSA-N
MW326.28 g/mol
LogP3.06
Rot. Bonds6

About N-[(5-bromo-3-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine

N-[(5-bromo-3-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine (PubChem CID 106625380) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is N-[(5-bromo-3-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-[(5-bromo-3-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
PubChem CID106625380
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC NameN-[(5-bromo-3-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
SMILESCCCN(Cc1cncc(Br)c1)CC1CCCNC1
InChIInChI=1S/C15H24BrN3/c1-2-6-19(11-13-4-3-5-17-8-13)12-14-7-15(16)10-18-9-14/h7,9-10,13,17H,2-6,8,11-12H2,1H3
InChIKeyCPSNMTONIXAGRE-UHFFFAOYSA-N
XLogP3.06
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dibromo-2-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625231
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
3-bromo-5-(piperidin-3-ylmethyl)pyridine
CID 104811408
4-bromo-2-[[piperidin-3-ylmethyl(propyl)amino]methyl]phenol
CID 107739212
5-bromo-N-ethyl-N-(piperidin-3-ylmethyl)pyridin-3-amine
CID 114194260
N-[(3-bromo-4-methoxyphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625257
4-[[piperidin-3-ylmethyl(propyl)amino]methyl]benzonitrile
CID 106625307
N-[(3-bromophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 103815711
N-[2-(4-bromophenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106640788
N-[[3-(difluoromethyl)phenyl]methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625184
N-[(4-methoxy-3-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625212

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-3-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine?
The IUPAC name of N-[(5-bromo-3-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine (CID 106625380) is N-[(5-bromo-3-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine.
What is the SMILES notation for N-[(5-bromo-3-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine?
The canonical SMILES for N-[(5-bromo-3-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine is CCCN(Cc1cncc(Br)c1)CC1CCCNC1.
What is the InChIKey of N-[(5-bromo-3-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine?
The InChIKey is CPSNMTONIXAGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-2-6-19(11-13-4-3-5-17-8-13)12-14-7-15(16)10-18-9-14/h7,9-10,13,17H,2-6,8,11-12H2,1H3.
What are the key properties of N-[(5-bromo-3-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine?
N-[(5-bromo-3-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine has a molecular weight of 326.28 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-3-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 106625380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).