4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine;hydrochloride

C19H28ClFN4O — CID 67232053

IUPAC4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine;hydrochloride
SMILESCl.NC1CCC(CCN2CCN(c3noc4ccc(F)cc34)CC2)CC1
InChIInChI=1S/C19H27FN4O.ClH/c20-15-3-6-18-17(13-15)19(22-25-18)24-11-9-23(10-12-24)8-7-14-1-4-16(21)5-2-14;/h3,6,13-14,16H,1-2,4-5,7-12,21H2;1H
InChIKeyCVZMXTQJNATXHM-UHFFFAOYSA-N
MW382.91 g/mol
LogP3.42
Rot. Bonds4

About 4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine;hydrochloride

4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine;hydrochloride (PubChem CID 67232053) has the molecular formula C19H28ClFN4O and a molecular weight of 382.91 g/mol. Its IUPAC name is 4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Name4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine;hydrochloride
PubChem CID67232053
Molecular FormulaC19H28ClFN4O
Molecular Weight382.91 g/mol
Exact Mass382.19
IUPAC Name4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine;hydrochloride
SMILESCl.NC1CCC(CCN2CCN(c3noc4ccc(F)cc34)CC2)CC1
InChIInChI=1S/C19H27FN4O.ClH/c20-15-3-6-18-17(13-15)19(22-25-18)24-11-9-23(10-12-24)8-7-14-1-4-16(21)5-2-14;/h3,6,13-14,16H,1-2,4-5,7-12,21H2;1H
InChIKeyCVZMXTQJNATXHM-UHFFFAOYSA-N
XLogP3.42
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.91
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine;hydrochloride with MolForge

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Related Compounds

4-[2-[4-(5-methyl-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine
CID 59252287
N-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-hydroxyacetamide
CID 70905295
N-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-3,3-dimethoxypropanamide
CID 45110156
2-cyclohexyl-N-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]acetamide;propan-2-ol
CID 143958909
4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexan-1-amine
CID 25206209
2-[(4S)-2,2-dimethyloxan-4-yl]-N-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]acetamide
CID 45111950
N-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-[(4S)-2,2,4-trimethyloxan-4-yl]acetamide
CID 45110790
2-[4-[2-[4-(5-methyl-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]propanamide
CID 172851850
3-[4-[2-[4-(3-ethylsulfonylbutyl)cyclohexyl]ethyl]piperazin-1-yl]-5,6-difluoro-1,2-benzoxazole
CID 91232381
6-chloro-3-[4-[2-(4-propylcyclohexyl)ethyl]piperazin-1-yl]-1,2-benzoxazole
CID 143958916
4-[2-[4-(5,6-dichloro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexane-1-carboxamide
CID 173089746
4-[[(7R,9aS)-2-(5-fluoro-1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methyl]pyrimidin-2-amine
CID 70019427

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine;hydrochloride?
The IUPAC name of 4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine;hydrochloride (CID 67232053) is 4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine;hydrochloride.
What is the SMILES notation for 4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine;hydrochloride?
The canonical SMILES for 4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine;hydrochloride is Cl.NC1CCC(CCN2CCN(c3noc4ccc(F)cc34)CC2)CC1.
What is the InChIKey of 4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine;hydrochloride?
The InChIKey is CVZMXTQJNATXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN4O.ClH/c20-15-3-6-18-17(13-15)19(22-25-18)24-11-9-23(10-12-24)8-7-14-1-4-16(21)5-2-14;/h3,6,13-14,16H,1-2,4-5,7-12,21H2;1H.
What are the key properties of 4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine;hydrochloride?
4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine;hydrochloride has a molecular weight of 382.91 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 67232053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).