N-[(5-bromo-3-pyridinyl)methyl]-1-ethyl-N-methylpiperidin-4-amine

C14H22BrN3 — CID 113240627

IUPACN-[(5-bromo-3-pyridinyl)methyl]-1-ethyl-N-methylpiperidin-4-amine
SMILESCCN1CCC(N(C)Cc2cncc(Br)c2)CC1
InChIInChI=1S/C14H22BrN3/c1-3-18-6-4-14(5-7-18)17(2)11-12-8-13(15)10-16-9-12/h8-10,14H,3-7,11H2,1-2H3
InChIKeyRQIYUSUTUDYLIY-UHFFFAOYSA-N
MW312.25 g/mol
LogP2.76
Rot. Bonds4

About N-[(5-bromo-3-pyridinyl)methyl]-1-ethyl-N-methylpiperidin-4-amine

N-[(5-bromo-3-pyridinyl)methyl]-1-ethyl-N-methylpiperidin-4-amine (PubChem CID 113240627) has the molecular formula C14H22BrN3 and a molecular weight of 312.25 g/mol. Its IUPAC name is N-[(5-bromo-3-pyridinyl)methyl]-1-ethyl-N-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(5-bromo-3-pyridinyl)methyl]-1-ethyl-N-methylpiperidin-4-amine
PubChem CID113240627
Molecular FormulaC14H22BrN3
Molecular Weight312.25 g/mol
Exact Mass311.10
IUPAC NameN-[(5-bromo-3-pyridinyl)methyl]-1-ethyl-N-methylpiperidin-4-amine
SMILESCCN1CCC(N(C)Cc2cncc(Br)c2)CC1
InChIInChI=1S/C14H22BrN3/c1-3-18-6-4-14(5-7-18)17(2)11-12-8-13(15)10-16-9-12/h8-10,14H,3-7,11H2,1-2H3
InChIKeyRQIYUSUTUDYLIY-UHFFFAOYSA-N
XLogP2.76
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-3-pyridinyl)methyl]-N-propylcyclopropanamine
CID 115611852
5-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]pyridin-2-amine
CID 55046277
N-[(4-amino-2-bromophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine
CID 55004493
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-1-ethyl-N-methylpiperidin-4-amine
CID 63887860
4-N-[1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-3-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
CID 172901957
N-[(5-bromo-3-pyridinyl)methyl]-1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-N-methylazetidin-3-amine
CID 172892544
3-bromo-5-[(4-tert-butylpiperidin-1-yl)methyl]pyridine
CID 115630376
1-ethyl-N-[(2-hydrazinyl-4-pyridinyl)methyl]-N-methylpiperidin-4-amine
CID 62470814
4-N-[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 126878454
N-[(5-bromo-3-pyridinyl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 116651487
4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-2-fluorobenzoic acid
CID 106699219
3-bromo-5-[(4-chloro-3-methylpiperidin-1-yl)methyl]pyridine
CID 114682308

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-3-pyridinyl)methyl]-1-ethyl-N-methylpiperidin-4-amine?
The IUPAC name of N-[(5-bromo-3-pyridinyl)methyl]-1-ethyl-N-methylpiperidin-4-amine (CID 113240627) is N-[(5-bromo-3-pyridinyl)methyl]-1-ethyl-N-methylpiperidin-4-amine.
What is the SMILES notation for N-[(5-bromo-3-pyridinyl)methyl]-1-ethyl-N-methylpiperidin-4-amine?
The canonical SMILES for N-[(5-bromo-3-pyridinyl)methyl]-1-ethyl-N-methylpiperidin-4-amine is CCN1CCC(N(C)Cc2cncc(Br)c2)CC1.
What is the InChIKey of N-[(5-bromo-3-pyridinyl)methyl]-1-ethyl-N-methylpiperidin-4-amine?
The InChIKey is RQIYUSUTUDYLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3/c1-3-18-6-4-14(5-7-18)17(2)11-12-8-13(15)10-16-9-12/h8-10,14H,3-7,11H2,1-2H3.
What are the key properties of N-[(5-bromo-3-pyridinyl)methyl]-1-ethyl-N-methylpiperidin-4-amine?
N-[(5-bromo-3-pyridinyl)methyl]-1-ethyl-N-methylpiperidin-4-amine has a molecular weight of 312.25 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-3-pyridinyl)methyl]-1-ethyl-N-methylpiperidin-4-amine is sourced from PubChem (CID 113240627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).