1-[(S)-cyclopentyl(naphthalen-2-yl)methyl]piperazine;dihydrochloride

C20H28Cl2N2 — CID 171274893

IUPAC1-[(S)-cyclopentyl(naphthalen-2-yl)methyl]piperazine;dihydrochloride
SMILESCl.Cl.c1ccc2cc([C@H](C3CCCC3)N3CCNCC3)ccc2c1
InChIInChI=1S/C20H26N2.2ClH/c1-4-8-18-15-19(10-9-16(18)5-1)20(17-6-2-3-7-17)22-13-11-21-12-14-22;;/h1,4-5,8-10,15,17,20-21H,2-3,6-7,11-14H2;2*1H/t20-;;/m0../s1
InChIKeyGNYMNADNMSPIMJ-FJSYBICCSA-N
MW367.36 g/mol
LogP4.82
Rot. Bonds3

About 1-[(S)-cyclopentyl(naphthalen-2-yl)methyl]piperazine;dihydrochloride

1-[(S)-cyclopentyl(naphthalen-2-yl)methyl]piperazine;dihydrochloride (PubChem CID 171274893) has the molecular formula C20H28Cl2N2 and a molecular weight of 367.36 g/mol. Its IUPAC name is 1-[(S)-cyclopentyl(naphthalen-2-yl)methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(S)-cyclopentyl(naphthalen-2-yl)methyl]piperazine;dihydrochloride
PubChem CID171274893
Molecular FormulaC20H28Cl2N2
Molecular Weight367.36 g/mol
Exact Mass366.16
IUPAC Name1-[(S)-cyclopentyl(naphthalen-2-yl)methyl]piperazine;dihydrochloride
SMILESCl.Cl.c1ccc2cc([C@H](C3CCCC3)N3CCNCC3)ccc2c1
InChIInChI=1S/C20H26N2.2ClH/c1-4-8-18-15-19(10-9-16(18)5-1)20(17-6-2-3-7-17)22-13-11-21-12-14-22;;/h1,4-5,8-10,15,17,20-21H,2-3,6-7,11-14H2;2*1H/t20-;;/m0../s1
InChIKeyGNYMNADNMSPIMJ-FJSYBICCSA-N
XLogP4.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(R)-cyclohexyl(naphthalen-2-yl)methyl]piperazine
CID 171287522
6-[(R)-cyclohexyl(piperazin-1-yl)methyl]naphthalen-2-ol
CID 171287782
1-[(S)-cyclopentyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride
CID 171283648
1-[(S)-cyclopentyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171274925
6-[(R)-cyclohexyl(piperazin-1-yl)methyl]-1H-indole
CID 171290490
1-[(R)-cyclohexyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171287555
1-[(S)-cyclohexyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride
CID 171283650
1-[(S)-anthracen-9-yl(cyclopentyl)methyl]piperazine;dihydrochloride
CID 171272083
1-[(R)-cyclohexyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride
CID 171296270
1-[cyclobutyl(phenyl)methyl]piperazine
CID 82288990
1-[(S)-cyclopentyl-(3,4-difluorophenyl)methyl]piperazine
CID 95483787
1-[(R)-cyclopentyl-(4-methoxyphenyl)methyl]piperazine
CID 95477353

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclopentyl(naphthalen-2-yl)methyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(S)-cyclopentyl(naphthalen-2-yl)methyl]piperazine;dihydrochloride (CID 171274893) is 1-[(S)-cyclopentyl(naphthalen-2-yl)methyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(S)-cyclopentyl(naphthalen-2-yl)methyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(S)-cyclopentyl(naphthalen-2-yl)methyl]piperazine;dihydrochloride is Cl.Cl.c1ccc2cc([C@H](C3CCCC3)N3CCNCC3)ccc2c1.
What is the InChIKey of 1-[(S)-cyclopentyl(naphthalen-2-yl)methyl]piperazine;dihydrochloride?
The InChIKey is GNYMNADNMSPIMJ-FJSYBICCSA-N. The full InChI is InChI=1S/C20H26N2.2ClH/c1-4-8-18-15-19(10-9-16(18)5-1)20(17-6-2-3-7-17)22-13-11-21-12-14-22;;/h1,4-5,8-10,15,17,20-21H,2-3,6-7,11-14H2;2*1H/t20-;;/m0../s1.
What are the key properties of 1-[(S)-cyclopentyl(naphthalen-2-yl)methyl]piperazine;dihydrochloride?
1-[(S)-cyclopentyl(naphthalen-2-yl)methyl]piperazine;dihydrochloride has a molecular weight of 367.36 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-cyclopentyl(naphthalen-2-yl)methyl]piperazine;dihydrochloride is sourced from PubChem (CID 171274893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).