1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2-methoxyphenyl)piperazine

C26H37N3O — CID 127033889

IUPAC1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(CCCN2CCC(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C26H37N3O/c1-30-26-11-6-5-10-25(26)29-20-18-28(19-21-29)15-7-14-27-16-12-24(13-17-27)22-23-8-3-2-4-9-23/h2-6,8-11,24H,7,12-22H2,1H3
InChIKeyVEHKQZVWCRAZGV-UHFFFAOYSA-N
MW407.60 g/mol
LogP4.16
Rot. Bonds8

About 1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2-methoxyphenyl)piperazine

1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 127033889) has the molecular formula C26H37N3O and a molecular weight of 407.60 g/mol. Its IUPAC name is 1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2-methoxyphenyl)piperazine
PubChem CID127033889
Molecular FormulaC26H37N3O
Molecular Weight407.60 g/mol
Exact Mass407.29
IUPAC Name1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(CCCN2CCC(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C26H37N3O/c1-30-26-11-6-5-10-25(26)29-20-18-28(19-21-29)15-7-14-27-16-12-24(13-17-27)22-23-8-3-2-4-9-23/h2-6,8-11,24H,7,12-22H2,1H3
InChIKeyVEHKQZVWCRAZGV-UHFFFAOYSA-N
XLogP4.16
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.60
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
1-(2-methoxyphenyl)-4-[3-(4-phenylmethoxyphenoxy)propyl]piperazine
CID 139690645
1-(cyclopropylmethyl)-4-(2-methoxyphenyl)piperazine
CID 13035986
1-(2-methoxyphenyl)-4-[1-(3-phenylpropyl)piperidin-4-yl]piperazine;oxalic acid
CID 17369301
1-(2-methoxyphenyl)-4-pent-4-ynylpiperazine
CID 112548439
4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine
CID 68812752
4-[4-(2-methoxyphenyl)piperazin-1-yl]butanenitrile
CID 586071
1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]piperidine-2,6-diol;hydrochloride
CID 141019598
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571
1-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]-4-(2-methoxyphenyl)piperazine
CID 5115878
3-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethyl]-6-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1,3-benzothiazol-2-one
CID 19437856
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 11575967

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2-methoxyphenyl)piperazine (CID 127033889) is 1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(CCCN2CCC(Cc3ccccc3)CC2)CC1.
What is the InChIKey of 1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is VEHKQZVWCRAZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O/c1-30-26-11-6-5-10-25(26)29-20-18-28(19-21-29)15-7-14-27-16-12-24(13-17-27)22-23-8-3-2-4-9-23/h2-6,8-11,24H,7,12-22H2,1H3.
What are the key properties of 1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2-methoxyphenyl)piperazine?
1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 407.60 g/mol, XLogP of 4.16, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 127033889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).