1-[[1-(bromomethyl)cyclohexyl]methyl]-4-cyclopropylpiperazine

C15H27BrN2 — CID 65002525

IUPAC1-[[1-(bromomethyl)cyclohexyl]methyl]-4-cyclopropylpiperazine
SMILESBrCC1(CN2CCN(C3CC3)CC2)CCCCC1
InChIInChI=1S/C15H27BrN2/c16-12-15(6-2-1-3-7-15)13-17-8-10-18(11-9-17)14-4-5-14/h14H,1-13H2
InChIKeyDKUWTQZDMZXFJC-UHFFFAOYSA-N
MW315.30 g/mol
LogP3.11
Rot. Bonds4

About 1-[[1-(bromomethyl)cyclohexyl]methyl]-4-cyclopropylpiperazine

1-[[1-(bromomethyl)cyclohexyl]methyl]-4-cyclopropylpiperazine (PubChem CID 65002525) has the molecular formula C15H27BrN2 and a molecular weight of 315.30 g/mol. Its IUPAC name is 1-[[1-(bromomethyl)cyclohexyl]methyl]-4-cyclopropylpiperazine.

Molecular Properties

Compound Name1-[[1-(bromomethyl)cyclohexyl]methyl]-4-cyclopropylpiperazine
PubChem CID65002525
Molecular FormulaC15H27BrN2
Molecular Weight315.30 g/mol
Exact Mass314.14
IUPAC Name1-[[1-(bromomethyl)cyclohexyl]methyl]-4-cyclopropylpiperazine
SMILESBrCC1(CN2CCN(C3CC3)CC2)CCCCC1
InChIInChI=1S/C15H27BrN2/c16-12-15(6-2-1-3-7-15)13-17-8-10-18(11-9-17)14-4-5-14/h14H,1-13H2
InChIKeyDKUWTQZDMZXFJC-UHFFFAOYSA-N
XLogP3.11
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(bromomethyl)cyclohexyl]methyl]-4-cyclopropylpiperazine?
The IUPAC name of 1-[[1-(bromomethyl)cyclohexyl]methyl]-4-cyclopropylpiperazine (CID 65002525) is 1-[[1-(bromomethyl)cyclohexyl]methyl]-4-cyclopropylpiperazine.
What is the SMILES notation for 1-[[1-(bromomethyl)cyclohexyl]methyl]-4-cyclopropylpiperazine?
The canonical SMILES for 1-[[1-(bromomethyl)cyclohexyl]methyl]-4-cyclopropylpiperazine is BrCC1(CN2CCN(C3CC3)CC2)CCCCC1.
What is the InChIKey of 1-[[1-(bromomethyl)cyclohexyl]methyl]-4-cyclopropylpiperazine?
The InChIKey is DKUWTQZDMZXFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27BrN2/c16-12-15(6-2-1-3-7-15)13-17-8-10-18(11-9-17)14-4-5-14/h14H,1-13H2.
What are the key properties of 1-[[1-(bromomethyl)cyclohexyl]methyl]-4-cyclopropylpiperazine?
1-[[1-(bromomethyl)cyclohexyl]methyl]-4-cyclopropylpiperazine has a molecular weight of 315.30 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(bromomethyl)cyclohexyl]methyl]-4-cyclopropylpiperazine is sourced from PubChem (CID 65002525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).