[1-[1-(2-bromophenyl)piperidin-4-yl]pyrrolidin-3-yl]methanamine

C16H24BrN3 — CID 117005645

IUPAC[1-[1-(2-bromophenyl)piperidin-4-yl]pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(C2CCN(c3ccccc3Br)CC2)C1
InChIInChI=1S/C16H24BrN3/c17-15-3-1-2-4-16(15)19-9-6-14(7-10-19)20-8-5-13(11-18)12-20/h1-4,13-14H,5-12,18H2
InChIKeyQZLQAEZJKLEADI-UHFFFAOYSA-N
MW338.29 g/mol
LogP2.70
Rot. Bonds3

About [1-[1-(2-bromophenyl)piperidin-4-yl]pyrrolidin-3-yl]methanamine

[1-[1-(2-bromophenyl)piperidin-4-yl]pyrrolidin-3-yl]methanamine (PubChem CID 117005645) has the molecular formula C16H24BrN3 and a molecular weight of 338.29 g/mol. Its IUPAC name is [1-[1-(2-bromophenyl)piperidin-4-yl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[1-(2-bromophenyl)piperidin-4-yl]pyrrolidin-3-yl]methanamine
PubChem CID117005645
Molecular FormulaC16H24BrN3
Molecular Weight338.29 g/mol
Exact Mass337.12
IUPAC Name[1-[1-(2-bromophenyl)piperidin-4-yl]pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(C2CCN(c3ccccc3Br)CC2)C1
InChIInChI=1S/C16H24BrN3/c17-15-3-1-2-4-16(15)19-9-6-14(7-10-19)20-8-5-13(11-18)12-20/h1-4,13-14H,5-12,18H2
InChIKeyQZLQAEZJKLEADI-UHFFFAOYSA-N
XLogP2.70
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(1-benzylpiperidin-4-yl)pyrrolidin-3-yl]methanamine
CID 24703138
(3S)-1-(2-bromophenyl)pyrrolidin-3-amine
CID 51663672
[1-[1-[4-(4-methylphenyl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]methanamine
CID 45184102
[1-(2,4-dibromophenyl)pyrrolidin-3-yl]methanamine
CID 61474220
[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methanamine
CID 43373551
[1-(2-bromo-5-chlorophenyl)pyrrolidin-3-yl]methanamine
CID 81280509
[1-[1-(3-fluorophenyl)pyrrolidin-3-yl]pyrrolidin-3-yl]methanamine
CID 117006052
[1-(2-bromo-6-fluorophenyl)pyrrolidin-3-yl]methanamine
CID 107600716
[1-(2-bromo-4-fluorophenyl)pyrrolidin-3-yl]methanamine
CID 43119509
[(3R)-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)piperidin-3-yl]methanamine
CID 126427460
1-(2-bromophenyl)-N-ethylpiperidin-4-amine
CID 60862139
[(3S)-1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanamine
CID 27440328

Frequently Asked Questions

What is the IUPAC name of [1-[1-(2-bromophenyl)piperidin-4-yl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[1-(2-bromophenyl)piperidin-4-yl]pyrrolidin-3-yl]methanamine (CID 117005645) is [1-[1-(2-bromophenyl)piperidin-4-yl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[1-(2-bromophenyl)piperidin-4-yl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[1-(2-bromophenyl)piperidin-4-yl]pyrrolidin-3-yl]methanamine is NCC1CCN(C2CCN(c3ccccc3Br)CC2)C1.
What is the InChIKey of [1-[1-(2-bromophenyl)piperidin-4-yl]pyrrolidin-3-yl]methanamine?
The InChIKey is QZLQAEZJKLEADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3/c17-15-3-1-2-4-16(15)19-9-6-14(7-10-19)20-8-5-13(11-18)12-20/h1-4,13-14H,5-12,18H2.
What are the key properties of [1-[1-(2-bromophenyl)piperidin-4-yl]pyrrolidin-3-yl]methanamine?
[1-[1-(2-bromophenyl)piperidin-4-yl]pyrrolidin-3-yl]methanamine has a molecular weight of 338.29 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(2-bromophenyl)piperidin-4-yl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117005645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).