1-[(1R)-1-(4-pyrrolidin-1-ylphenyl)pentyl]piperazine

C19H31N3 — CID 171308505

IUPAC1-[(1R)-1-(4-pyrrolidin-1-ylphenyl)pentyl]piperazine
SMILESCCCC[C@H](c1ccc(N2CCCC2)cc1)N1CCNCC1
InChIInChI=1S/C19H31N3/c1-2-3-6-19(22-15-11-20-12-16-22)17-7-9-18(10-8-17)21-13-4-5-14-21/h7-10,19-20H,2-6,11-16H2,1H3/t19-/m1/s1
InChIKeyUZMQBVWAAKVBPE-LJQANCHMSA-N
MW301.48 g/mol
LogP3.42
Rot. Bonds6

About 1-[(1R)-1-(4-pyrrolidin-1-ylphenyl)pentyl]piperazine

1-[(1R)-1-(4-pyrrolidin-1-ylphenyl)pentyl]piperazine (PubChem CID 171308505) has the molecular formula C19H31N3 and a molecular weight of 301.48 g/mol. Its IUPAC name is 1-[(1R)-1-(4-pyrrolidin-1-ylphenyl)pentyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(4-pyrrolidin-1-ylphenyl)pentyl]piperazine
PubChem CID171308505
Molecular FormulaC19H31N3
Molecular Weight301.48 g/mol
Exact Mass301.25
IUPAC Name1-[(1R)-1-(4-pyrrolidin-1-ylphenyl)pentyl]piperazine
SMILESCCCC[C@H](c1ccc(N2CCCC2)cc1)N1CCNCC1
InChIInChI=1S/C19H31N3/c1-2-3-6-19(22-15-11-20-12-16-22)17-7-9-18(10-8-17)21-13-4-5-14-21/h7-10,19-20H,2-6,11-16H2,1H3/t19-/m1/s1
InChIKeyUZMQBVWAAKVBPE-LJQANCHMSA-N
XLogP3.42
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-piperazin-1-yl-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol
CID 171189780
1-[(1S)-1-(4-tert-butylphenyl)pentyl]piperazine;dihydrochloride
CID 171308868
(2R)-2-piperazin-1-yl-2-(4-pyrrolidin-1-ylphenyl)ethanol;hydrochloride
CID 171183683
1-[(1R)-1-(4-methylsulfanylphenyl)pentyl]piperazine;dihydrochloride
CID 171308234
1-[(1S)-1-[4-(trifluoromethyl)phenyl]pentyl]piperazine
CID 171162894
1-[(1S)-1-[4-(difluoromethoxy)phenyl]pentyl]piperazine
CID 171165002
1-[(1S)-1-(4-methylsulfanylphenyl)hexyl]piperazine
CID 171309533
1-[(1R)-1-[4-(trifluoromethyl)phenyl]hexyl]piperazine
CID 171168374
N,N-diethyl-4-[(1S)-1-piperazin-1-ylhexyl]aniline
CID 171309273
1-[(1S)-1-(4-iodophenyl)butyl]piperazine
CID 171276051
1-[(1R)-1-naphthalen-2-ylpentyl]piperazine;dihydrochloride
CID 171307529
1-[(1S)-1-[4-(trifluoromethyl)phenyl]hexyl]piperazine;dihydrochloride
CID 171308640

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-pyrrolidin-1-ylphenyl)pentyl]piperazine?
The IUPAC name of 1-[(1R)-1-(4-pyrrolidin-1-ylphenyl)pentyl]piperazine (CID 171308505) is 1-[(1R)-1-(4-pyrrolidin-1-ylphenyl)pentyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(4-pyrrolidin-1-ylphenyl)pentyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(4-pyrrolidin-1-ylphenyl)pentyl]piperazine is CCCC[C@H](c1ccc(N2CCCC2)cc1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(4-pyrrolidin-1-ylphenyl)pentyl]piperazine?
The InChIKey is UZMQBVWAAKVBPE-LJQANCHMSA-N. The full InChI is InChI=1S/C19H31N3/c1-2-3-6-19(22-15-11-20-12-16-22)17-7-9-18(10-8-17)21-13-4-5-14-21/h7-10,19-20H,2-6,11-16H2,1H3/t19-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-pyrrolidin-1-ylphenyl)pentyl]piperazine?
1-[(1R)-1-(4-pyrrolidin-1-ylphenyl)pentyl]piperazine has a molecular weight of 301.48 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-pyrrolidin-1-ylphenyl)pentyl]piperazine is sourced from PubChem (CID 171308505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).