N-[(3,5-dibromo-2-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine

C15H23Br2N3 — CID 106625231

IUPACN-[(3,5-dibromo-2-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
SMILESCCCN(Cc1ncc(Br)cc1Br)CC1CCCNC1
InChIInChI=1S/C15H23Br2N3/c1-2-6-20(10-12-4-3-5-18-8-12)11-15-14(17)7-13(16)9-19-15/h7,9,12,18H,2-6,8,10-11H2,1H3
InChIKeyZJIVYAXKSYQXOG-UHFFFAOYSA-N
MW405.18 g/mol
LogP3.82
Rot. Bonds6

About N-[(3,5-dibromo-2-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine

N-[(3,5-dibromo-2-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine (PubChem CID 106625231) has the molecular formula C15H23Br2N3 and a molecular weight of 405.18 g/mol. Its IUPAC name is N-[(3,5-dibromo-2-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dibromo-2-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
PubChem CID106625231
Molecular FormulaC15H23Br2N3
Molecular Weight405.18 g/mol
Exact Mass403.03
IUPAC NameN-[(3,5-dibromo-2-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
SMILESCCCN(Cc1ncc(Br)cc1Br)CC1CCCNC1
InChIInChI=1S/C15H23Br2N3/c1-2-6-20(10-12-4-3-5-18-8-12)11-15-14(17)7-13(16)9-19-15/h7,9,12,18H,2-6,8,10-11H2,1H3
InChIKeyZJIVYAXKSYQXOG-UHFFFAOYSA-N
XLogP3.82
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.18
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-3-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625380
4-bromo-2-[[piperidin-3-ylmethyl(propyl)amino]methyl]phenol
CID 107739212
N-[(3-bromo-4-methoxyphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625257
N-benzyl-N-[[(3S)-piperidin-3-yl]methyl]propan-1-amine
CID 129381793
N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625448
N-[2-(4-bromophenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106640788
N-[(2,5-dichlorophenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106640868
4-[[piperidin-3-ylmethyl(propyl)amino]methyl]benzonitrile
CID 106625307
5-bromo-3-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyridin-2-amine
CID 106642794
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625379
N-[(4-fluoro-2-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625464
4-chloro-2-[[piperidin-3-ylmethyl(propyl)amino]methyl]phenol
CID 106625458

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromo-2-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine?
The IUPAC name of N-[(3,5-dibromo-2-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine (CID 106625231) is N-[(3,5-dibromo-2-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine.
What is the SMILES notation for N-[(3,5-dibromo-2-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine?
The canonical SMILES for N-[(3,5-dibromo-2-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine is CCCN(Cc1ncc(Br)cc1Br)CC1CCCNC1.
What is the InChIKey of N-[(3,5-dibromo-2-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine?
The InChIKey is ZJIVYAXKSYQXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Br2N3/c1-2-6-20(10-12-4-3-5-18-8-12)11-15-14(17)7-13(16)9-19-15/h7,9,12,18H,2-6,8,10-11H2,1H3.
What are the key properties of N-[(3,5-dibromo-2-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine?
N-[(3,5-dibromo-2-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine has a molecular weight of 405.18 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dibromo-2-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 106625231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).