1-methyl-4-[3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)propyl]piperazine

C23H38N2 — CID 170862597

IUPAC1-methyl-4-[3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)propyl]piperazine
SMILESCc1cc2c(cc1CCCN1CCN(C)CC1)C(C)(C)CCC2(C)C
InChIInChI=1S/C23H38N2/c1-18-16-20-21(23(4,5)10-9-22(20,2)3)17-19(18)8-7-11-25-14-12-24(6)13-15-25/h16-17H,7-15H2,1-6H3
InChIKeyHGPKPFWWRCOJJC-UHFFFAOYSA-N
MW342.57 g/mol
LogP4.52
Rot. Bonds4

About 1-methyl-4-[3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)propyl]piperazine

1-methyl-4-[3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)propyl]piperazine (PubChem CID 170862597) has the molecular formula C23H38N2 and a molecular weight of 342.57 g/mol. Its IUPAC name is 1-methyl-4-[3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)propyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)propyl]piperazine
PubChem CID170862597
Molecular FormulaC23H38N2
Molecular Weight342.57 g/mol
Exact Mass342.30
IUPAC Name1-methyl-4-[3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)propyl]piperazine
SMILESCc1cc2c(cc1CCCN1CCN(C)CC1)C(C)(C)CCC2(C)C
InChIInChI=1S/C23H38N2/c1-18-16-20-21(23(4,5)10-9-22(20,2)3)17-19(18)8-7-11-25-14-12-24(6)13-15-25/h16-17H,7-15H2,1-6H3
InChIKeyHGPKPFWWRCOJJC-UHFFFAOYSA-N
XLogP4.52
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.57
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propyl]morpholine
CID 170869380
6-but-3-enyl-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene
CID 173340112
4-methyl-2,6-bis[3-(4-methylpiperazin-1-yl)propyl]phenol
CID 170862381
1-methyl-4-[3-(2-methyl-4-pyrrolidin-1-ylphenyl)propyl]piperazine
CID 170863747
N-[(3,4-dichlorophenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21047542
1-methyl-4-[3-[2-[2-[3-(4-methylpiperazin-1-yl)propyl]phenyl]phenyl]propyl]piperazine
CID 170863059
1-methyl-4-[3-(2,3,4,5-tetrafluorophenyl)propyl]piperazine
CID 170862462
1-[3-(3,5-dimethyl-1H-pyrrol-2-yl)propyl]-4-methylpiperazine
CID 170864210
1-[3-(2,5-dimethoxyphenyl)propyl]-4-methylpiperazine
CID 170862265
1-[3-(3,4-difluoro-5-methylphenyl)propyl]-4-methylpiperazine
CID 170863010
2-[3-(4-methylpiperazin-1-yl)propyl]-4-(trifluoromethoxy)aniline
CID 170863398
2,4,6-tribromo-3-[3-(4-methylpiperazin-1-yl)propyl]phenol
CID 170862881

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)propyl]piperazine?
The IUPAC name of 1-methyl-4-[3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)propyl]piperazine (CID 170862597) is 1-methyl-4-[3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)propyl]piperazine.
What is the SMILES notation for 1-methyl-4-[3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)propyl]piperazine?
The canonical SMILES for 1-methyl-4-[3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)propyl]piperazine is Cc1cc2c(cc1CCCN1CCN(C)CC1)C(C)(C)CCC2(C)C.
What is the InChIKey of 1-methyl-4-[3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)propyl]piperazine?
The InChIKey is HGPKPFWWRCOJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2/c1-18-16-20-21(23(4,5)10-9-22(20,2)3)17-19(18)8-7-11-25-14-12-24(6)13-15-25/h16-17H,7-15H2,1-6H3.
What are the key properties of 1-methyl-4-[3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)propyl]piperazine?
1-methyl-4-[3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)propyl]piperazine has a molecular weight of 342.57 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)propyl]piperazine is sourced from PubChem (CID 170862597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).