1-cycloheptyl-4-[(3-methoxyphenyl)methyl]piperazine

C19H30N2O — CID 877620

IUPAC1-cycloheptyl-4-[(3-methoxyphenyl)methyl]piperazine
SMILESCOc1cccc(CN2CCN(C3CCCCCC3)CC2)c1
InChIInChI=1S/C19H30N2O/c1-22-19-10-6-7-17(15-19)16-20-11-13-21(14-12-20)18-8-4-2-3-5-9-18/h6-7,10,15,18H,2-5,8-9,11-14,16H2,1H3
InChIKeyDOYNEOFITQPRMC-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.54
Rot. Bonds4

About 1-cycloheptyl-4-[(3-methoxyphenyl)methyl]piperazine

1-cycloheptyl-4-[(3-methoxyphenyl)methyl]piperazine (PubChem CID 877620) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 1-cycloheptyl-4-[(3-methoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-cycloheptyl-4-[(3-methoxyphenyl)methyl]piperazine
PubChem CID877620
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name1-cycloheptyl-4-[(3-methoxyphenyl)methyl]piperazine
SMILESCOc1cccc(CN2CCN(C3CCCCCC3)CC2)c1
InChIInChI=1S/C19H30N2O/c1-22-19-10-6-7-17(15-19)16-20-11-13-21(14-12-20)18-8-4-2-3-5-9-18/h6-7,10,15,18H,2-5,8-9,11-14,16H2,1H3
InChIKeyDOYNEOFITQPRMC-UHFFFAOYSA-N
XLogP3.54
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 1148292
1-[(3-methoxyphenyl)methyl]-4-[(1S,3S)-3-methylcyclohexyl]piperazine
CID 786304
1-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine;oxalic acid
CID 126477231
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
4-chloro-1-[(3-methoxyphenyl)methyl]piperidine
CID 63389704
ethane;1-ethyl-4-[(3-methoxyphenyl)methyl]piperazine
CID 166149452
N-cyclohexyl-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 22195059
1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 22199424
1-[(3-methoxyphenyl)methyl]piperidine;phenylmethanamine
CID 174819320
2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-methoxyaniline
CID 115414065
2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-methoxyphenol
CID 82959226
1-(2-chloroethyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 23363898

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-4-[(3-methoxyphenyl)methyl]piperazine?
The IUPAC name of 1-cycloheptyl-4-[(3-methoxyphenyl)methyl]piperazine (CID 877620) is 1-cycloheptyl-4-[(3-methoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-cycloheptyl-4-[(3-methoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-cycloheptyl-4-[(3-methoxyphenyl)methyl]piperazine is COc1cccc(CN2CCN(C3CCCCCC3)CC2)c1.
What is the InChIKey of 1-cycloheptyl-4-[(3-methoxyphenyl)methyl]piperazine?
The InChIKey is DOYNEOFITQPRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-22-19-10-6-7-17(15-19)16-20-11-13-21(14-12-20)18-8-4-2-3-5-9-18/h6-7,10,15,18H,2-5,8-9,11-14,16H2,1H3.
What are the key properties of 1-cycloheptyl-4-[(3-methoxyphenyl)methyl]piperazine?
1-cycloheptyl-4-[(3-methoxyphenyl)methyl]piperazine has a molecular weight of 302.46 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-4-[(3-methoxyphenyl)methyl]piperazine is sourced from PubChem (CID 877620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).