1-[1-[2-(bromomethyl)-3-methylbutyl]piperidin-4-yl]-N,N-dimethylmethanamine

C14H29BrN2 — CID 65011735

IUPAC1-[1-[2-(bromomethyl)-3-methylbutyl]piperidin-4-yl]-N,N-dimethylmethanamine
SMILESCC(C)C(CBr)CN1CCC(CN(C)C)CC1
InChIInChI=1S/C14H29BrN2/c1-12(2)14(9-15)11-17-7-5-13(6-8-17)10-16(3)4/h12-14H,5-11H2,1-4H3
InChIKeyTYKLVTWAKPRJBW-UHFFFAOYSA-N
MW305.30 g/mol
LogP2.93
Rot. Bonds6

About 1-[1-[2-(bromomethyl)-3-methylbutyl]piperidin-4-yl]-N,N-dimethylmethanamine

1-[1-[2-(bromomethyl)-3-methylbutyl]piperidin-4-yl]-N,N-dimethylmethanamine (PubChem CID 65011735) has the molecular formula C14H29BrN2 and a molecular weight of 305.30 g/mol. Its IUPAC name is 1-[1-[2-(bromomethyl)-3-methylbutyl]piperidin-4-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-[2-(bromomethyl)-3-methylbutyl]piperidin-4-yl]-N,N-dimethylmethanamine
PubChem CID65011735
Molecular FormulaC14H29BrN2
Molecular Weight305.30 g/mol
Exact Mass304.15
IUPAC Name1-[1-[2-(bromomethyl)-3-methylbutyl]piperidin-4-yl]-N,N-dimethylmethanamine
SMILESCC(C)C(CBr)CN1CCC(CN(C)C)CC1
InChIInChI=1S/C14H29BrN2/c1-12(2)14(9-15)11-17-7-5-13(6-8-17)10-16(3)4/h12-14H,5-11H2,1-4H3
InChIKeyTYKLVTWAKPRJBW-UHFFFAOYSA-N
XLogP2.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-3-methylbutan-1-amine
CID 65233248
2-[4-[2-(bromomethyl)-3-methylbutyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 65012025
4-benzyl-1-[2-(bromomethyl)-3-methylbutyl]piperidine
CID 65011955
N,N-dimethyl-1-[1-(3-methylbutan-2-yl)piperidin-4-yl]methanamine
CID 146262261
1-[1-(3-bromo-2,2-dimethylpropyl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 65000008
2-[2-(bromomethyl)-3-methylbutyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 115561223
1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]piperidin-4-amine
CID 79328289
4-[4-[(dimethylamino)methyl]piperidin-1-yl]-3,3-dimethylbutan-2-ol
CID 66453045
1-[1-[2-(bromomethyl)-2-ethylbutyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 65003733
2-[(4-ethylpiperidin-1-yl)methyl]-3-methylbutan-1-amine
CID 65233237
1-[2-(aminomethyl)-3-methylbutyl]-N,N-dimethylpiperidin-4-amine
CID 65227991
3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-1-phenylpropan-1-ol
CID 62617802

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(bromomethyl)-3-methylbutyl]piperidin-4-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-[2-(bromomethyl)-3-methylbutyl]piperidin-4-yl]-N,N-dimethylmethanamine (CID 65011735) is 1-[1-[2-(bromomethyl)-3-methylbutyl]piperidin-4-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-[2-(bromomethyl)-3-methylbutyl]piperidin-4-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-[2-(bromomethyl)-3-methylbutyl]piperidin-4-yl]-N,N-dimethylmethanamine is CC(C)C(CBr)CN1CCC(CN(C)C)CC1.
What is the InChIKey of 1-[1-[2-(bromomethyl)-3-methylbutyl]piperidin-4-yl]-N,N-dimethylmethanamine?
The InChIKey is TYKLVTWAKPRJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29BrN2/c1-12(2)14(9-15)11-17-7-5-13(6-8-17)10-16(3)4/h12-14H,5-11H2,1-4H3.
What are the key properties of 1-[1-[2-(bromomethyl)-3-methylbutyl]piperidin-4-yl]-N,N-dimethylmethanamine?
1-[1-[2-(bromomethyl)-3-methylbutyl]piperidin-4-yl]-N,N-dimethylmethanamine has a molecular weight of 305.30 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(bromomethyl)-3-methylbutyl]piperidin-4-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 65011735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).