[4-[4-(4-fluorophenyl)butyl]piperazin-1-yl]-pyrrolidin-1-ylmethanone;hydrochloride

C19H29ClFN3O — CID 70381756

IUPAC[4-[4-(4-fluorophenyl)butyl]piperazin-1-yl]-pyrrolidin-1-ylmethanone;hydrochloride
SMILESCl.O=C(N1CCCC1)N1CCN(CCCCc2ccc(F)cc2)CC1
InChIInChI=1S/C19H28FN3O.ClH/c20-18-8-6-17(7-9-18)5-1-2-10-21-13-15-23(16-14-21)19(24)22-11-3-4-12-22;/h6-9H,1-5,10-16H2;1H
InChIKeyUXJNNIXJKHPTGT-UHFFFAOYSA-N
MW369.91 g/mol
LogP3.40
Rot. Bonds5

About [4-[4-(4-fluorophenyl)butyl]piperazin-1-yl]-pyrrolidin-1-ylmethanone;hydrochloride

[4-[4-(4-fluorophenyl)butyl]piperazin-1-yl]-pyrrolidin-1-ylmethanone;hydrochloride (PubChem CID 70381756) has the molecular formula C19H29ClFN3O and a molecular weight of 369.91 g/mol. Its IUPAC name is [4-[4-(4-fluorophenyl)butyl]piperazin-1-yl]-pyrrolidin-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[4-[4-(4-fluorophenyl)butyl]piperazin-1-yl]-pyrrolidin-1-ylmethanone;hydrochloride
PubChem CID70381756
Molecular FormulaC19H29ClFN3O
Molecular Weight369.91 g/mol
Exact Mass369.20
IUPAC Name[4-[4-(4-fluorophenyl)butyl]piperazin-1-yl]-pyrrolidin-1-ylmethanone;hydrochloride
SMILESCl.O=C(N1CCCC1)N1CCN(CCCCc2ccc(F)cc2)CC1
InChIInChI=1S/C19H28FN3O.ClH/c20-18-8-6-17(7-9-18)5-1-2-10-21-13-15-23(16-14-21)19(24)22-11-3-4-12-22;/h6-9H,1-5,10-16H2;1H
InChIKeyUXJNNIXJKHPTGT-UHFFFAOYSA-N
XLogP3.40
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.91
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide;hydrochloride
CID 70476620
4-[4-(4-fluorophenyl)butyl]piperazine-1-carbothioamide
CID 88622308
4-[3-(4-fluorophenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110413646
1-[4-[3-(4-fluorophenyl)propyl]piperazin-1-yl]butan-1-one
CID 110413582
4-[2-(4-fluorophenyl)ethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110290641
2-methyl-1-[4-[4-[4-(4-piperidin-1-ylbutyl)phenyl]piperazine-1-carbonyl]piperazin-1-yl]propan-1-one
CID 142884733
1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]pentan-1-one
CID 110290585
1-cyclopentylsulfonyl-4-[3-(4-fluorophenyl)propyl]piperazine
CID 110616620
4-[4-(4-chlorophenyl)butyl]piperazine-1-carboxylic acid
CID 69457869
4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbaldehyde;hydrochloride
CID 141054261
1-[3-(4-fluorophenyl)propyl]piperidin-4-ol
CID 21180751
3-(4-fluorophenyl)-1-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propan-1-one
CID 134046846

Frequently Asked Questions

What is the IUPAC name of [4-[4-(4-fluorophenyl)butyl]piperazin-1-yl]-pyrrolidin-1-ylmethanone;hydrochloride?
The IUPAC name of [4-[4-(4-fluorophenyl)butyl]piperazin-1-yl]-pyrrolidin-1-ylmethanone;hydrochloride (CID 70381756) is [4-[4-(4-fluorophenyl)butyl]piperazin-1-yl]-pyrrolidin-1-ylmethanone;hydrochloride.
What is the SMILES notation for [4-[4-(4-fluorophenyl)butyl]piperazin-1-yl]-pyrrolidin-1-ylmethanone;hydrochloride?
The canonical SMILES for [4-[4-(4-fluorophenyl)butyl]piperazin-1-yl]-pyrrolidin-1-ylmethanone;hydrochloride is Cl.O=C(N1CCCC1)N1CCN(CCCCc2ccc(F)cc2)CC1.
What is the InChIKey of [4-[4-(4-fluorophenyl)butyl]piperazin-1-yl]-pyrrolidin-1-ylmethanone;hydrochloride?
The InChIKey is UXJNNIXJKHPTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O.ClH/c20-18-8-6-17(7-9-18)5-1-2-10-21-13-15-23(16-14-21)19(24)22-11-3-4-12-22;/h6-9H,1-5,10-16H2;1H.
What are the key properties of [4-[4-(4-fluorophenyl)butyl]piperazin-1-yl]-pyrrolidin-1-ylmethanone;hydrochloride?
[4-[4-(4-fluorophenyl)butyl]piperazin-1-yl]-pyrrolidin-1-ylmethanone;hydrochloride has a molecular weight of 369.91 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(4-fluorophenyl)butyl]piperazin-1-yl]-pyrrolidin-1-ylmethanone;hydrochloride is sourced from PubChem (CID 70381756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).