1-[[1-(bromomethyl)cycloheptyl]methyl]-4-methylsulfanylpiperidine

C15H28BrNS — CID 114237774

IUPAC1-[[1-(bromomethyl)cycloheptyl]methyl]-4-methylsulfanylpiperidine
SMILESCSC1CCN(CC2(CBr)CCCCCC2)CC1
InChIInChI=1S/C15H28BrNS/c1-18-14-6-10-17(11-7-14)13-15(12-16)8-4-2-3-5-9-15/h14H,2-13H2,1H3
InChIKeyQOZXMXKSMXTCLD-UHFFFAOYSA-N
MW334.37 g/mol
LogP4.55
Rot. Bonds4

About 1-[[1-(bromomethyl)cycloheptyl]methyl]-4-methylsulfanylpiperidine

1-[[1-(bromomethyl)cycloheptyl]methyl]-4-methylsulfanylpiperidine (PubChem CID 114237774) has the molecular formula C15H28BrNS and a molecular weight of 334.37 g/mol. Its IUPAC name is 1-[[1-(bromomethyl)cycloheptyl]methyl]-4-methylsulfanylpiperidine.

Molecular Properties

Compound Name1-[[1-(bromomethyl)cycloheptyl]methyl]-4-methylsulfanylpiperidine
PubChem CID114237774
Molecular FormulaC15H28BrNS
Molecular Weight334.37 g/mol
Exact Mass333.11
IUPAC Name1-[[1-(bromomethyl)cycloheptyl]methyl]-4-methylsulfanylpiperidine
SMILESCSC1CCN(CC2(CBr)CCCCCC2)CC1
InChIInChI=1S/C15H28BrNS/c1-18-14-6-10-17(11-7-14)13-15(12-16)8-4-2-3-5-9-15/h14H,2-13H2,1H3
InChIKeyQOZXMXKSMXTCLD-UHFFFAOYSA-N
XLogP4.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 54.55
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

1-[[1-(bromomethyl)cycloheptyl]methyl]-N,N-dimethylpiperidin-4-amine
CID 65010468
1-[[1-(bromomethyl)cyclohexyl]methyl]-4-methoxypiperidine
CID 65002170
1-[[1-(bromomethyl)cyclopentyl]methyl]azetidine
CID 130548196
1-[[1-(bromomethyl)cyclopentyl]methyl]piperidin-4-ol
CID 65001565
1-[[1-(bromomethyl)cycloheptyl]methyl]-4-cyclopropylpiperazine
CID 65009981
1-[[1-(bromomethyl)cyclohexyl]methyl]-4-propylazepane
CID 65006739
1-[[1-(bromomethyl)cyclopropyl]methyl]azepane
CID 65013717
(2R,6S)-4-[[1-(bromomethyl)cyclohexyl]methyl]-2,6-dimethylmorpholine
CID 104959997
1-[[1-(bromomethyl)cycloheptyl]methyl]-3-ethylpiperidine
CID 65010517
6-[[1-(bromomethyl)cycloheptyl]methyl]-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81200320
4-[[1-(bromomethyl)cyclohexyl]methyl]-1,4-thiazepane
CID 65002174
[1-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidin-3-yl]methanol
CID 112628015

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(bromomethyl)cycloheptyl]methyl]-4-methylsulfanylpiperidine?
The IUPAC name of 1-[[1-(bromomethyl)cycloheptyl]methyl]-4-methylsulfanylpiperidine (CID 114237774) is 1-[[1-(bromomethyl)cycloheptyl]methyl]-4-methylsulfanylpiperidine.
What is the SMILES notation for 1-[[1-(bromomethyl)cycloheptyl]methyl]-4-methylsulfanylpiperidine?
The canonical SMILES for 1-[[1-(bromomethyl)cycloheptyl]methyl]-4-methylsulfanylpiperidine is CSC1CCN(CC2(CBr)CCCCCC2)CC1.
What is the InChIKey of 1-[[1-(bromomethyl)cycloheptyl]methyl]-4-methylsulfanylpiperidine?
The InChIKey is QOZXMXKSMXTCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28BrNS/c1-18-14-6-10-17(11-7-14)13-15(12-16)8-4-2-3-5-9-15/h14H,2-13H2,1H3.
What are the key properties of 1-[[1-(bromomethyl)cycloheptyl]methyl]-4-methylsulfanylpiperidine?
1-[[1-(bromomethyl)cycloheptyl]methyl]-4-methylsulfanylpiperidine has a molecular weight of 334.37 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(bromomethyl)cycloheptyl]methyl]-4-methylsulfanylpiperidine is sourced from PubChem (CID 114237774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).