1-[3-[4-(cyclopropylmethoxy)-3-propylphenyl]propyl]-4-methylpiperazine

C21H34N2O — CID 170863803

IUPAC1-[3-[4-(cyclopropylmethoxy)-3-propylphenyl]propyl]-4-methylpiperazine
SMILESCCCc1cc(CCCN2CCN(C)CC2)ccc1OCC1CC1
InChIInChI=1S/C21H34N2O/c1-3-5-20-16-18(9-10-21(20)24-17-19-7-8-19)6-4-11-23-14-12-22(2)13-15-23/h9-10,16,19H,3-8,11-15,17H2,1-2H3
InChIKeyNCVLNUNMXDUHLB-UHFFFAOYSA-N
MW330.52 g/mol
LogP3.61
Rot. Bonds9

About 1-[3-[4-(cyclopropylmethoxy)-3-propylphenyl]propyl]-4-methylpiperazine

1-[3-[4-(cyclopropylmethoxy)-3-propylphenyl]propyl]-4-methylpiperazine (PubChem CID 170863803) has the molecular formula C21H34N2O and a molecular weight of 330.52 g/mol. Its IUPAC name is 1-[3-[4-(cyclopropylmethoxy)-3-propylphenyl]propyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-[4-(cyclopropylmethoxy)-3-propylphenyl]propyl]-4-methylpiperazine
PubChem CID170863803
Molecular FormulaC21H34N2O
Molecular Weight330.52 g/mol
Exact Mass330.27
IUPAC Name1-[3-[4-(cyclopropylmethoxy)-3-propylphenyl]propyl]-4-methylpiperazine
SMILESCCCc1cc(CCCN2CCN(C)CC2)ccc1OCC1CC1
InChIInChI=1S/C21H34N2O/c1-3-5-20-16-18(9-10-21(20)24-17-19-7-8-19)6-4-11-23-14-12-22(2)13-15-23/h9-10,16,19H,3-8,11-15,17H2,1-2H3
InChIKeyNCVLNUNMXDUHLB-UHFFFAOYSA-N
XLogP3.61
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[4-(cyclopropylmethoxy)-3-phenylphenyl]propyl]-4-methylpiperazine
CID 170863809
1-[3-(4-ethoxy-3-propylphenyl)propyl]piperazine
CID 170863848
1-[3-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]propyl]-4-methylpiperazine
CID 170863628
2-ethoxy-5-[3-(4-methylpiperazin-1-yl)propyl]aniline
CID 82071130
1-methyl-4-[3-(3-methyl-4-propoxyphenyl)propyl]piperazine
CID 170863858
1-[2-(cyclopropylmethoxy)-5-propylphenyl]propan-2-amine;hydrochloride
CID 170894127
1-[3-(3-butan-2-yl-4-propoxyphenyl)propyl]-4-methylpiperazine
CID 170863779
1-[[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]azepane
CID 170863657
1-[3-[3-[(4-iodophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine
CID 170863549
4-[[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]morpholine
CID 170863421
1-[3-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propyl]-4-methylpiperazine
CID 170863792
1-[3-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine
CID 170863622

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(cyclopropylmethoxy)-3-propylphenyl]propyl]-4-methylpiperazine?
The IUPAC name of 1-[3-[4-(cyclopropylmethoxy)-3-propylphenyl]propyl]-4-methylpiperazine (CID 170863803) is 1-[3-[4-(cyclopropylmethoxy)-3-propylphenyl]propyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-[4-(cyclopropylmethoxy)-3-propylphenyl]propyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-[4-(cyclopropylmethoxy)-3-propylphenyl]propyl]-4-methylpiperazine is CCCc1cc(CCCN2CCN(C)CC2)ccc1OCC1CC1.
What is the InChIKey of 1-[3-[4-(cyclopropylmethoxy)-3-propylphenyl]propyl]-4-methylpiperazine?
The InChIKey is NCVLNUNMXDUHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O/c1-3-5-20-16-18(9-10-21(20)24-17-19-7-8-19)6-4-11-23-14-12-22(2)13-15-23/h9-10,16,19H,3-8,11-15,17H2,1-2H3.
What are the key properties of 1-[3-[4-(cyclopropylmethoxy)-3-propylphenyl]propyl]-4-methylpiperazine?
1-[3-[4-(cyclopropylmethoxy)-3-propylphenyl]propyl]-4-methylpiperazine has a molecular weight of 330.52 g/mol, XLogP of 3.61, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(cyclopropylmethoxy)-3-propylphenyl]propyl]-4-methylpiperazine is sourced from PubChem (CID 170863803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).