1-[(3-cyclohexylimidazol-4-yl)methyl]-4-pyrrolidin-3-ylpiperazine;dihydrochloride

C18H33Cl2N5 — CID 154903114

IUPAC1-[(3-cyclohexylimidazol-4-yl)methyl]-4-pyrrolidin-3-ylpiperazine;dihydrochloride
SMILESCl.Cl.c1ncn(C2CCCCC2)c1CN1CCN(C2CCNC2)CC1
InChIInChI=1S/C18H31N5.2ClH/c1-2-4-16(5-3-1)23-15-20-13-18(23)14-21-8-10-22(11-9-21)17-6-7-19-12-17;;/h13,15-17,19H,1-12,14H2;2*1H
InChIKeyKEZKIRKMPAGQNX-UHFFFAOYSA-N
MW390.40 g/mol
LogP2.71
Rot. Bonds4

About 1-[(3-cyclohexylimidazol-4-yl)methyl]-4-pyrrolidin-3-ylpiperazine;dihydrochloride

1-[(3-cyclohexylimidazol-4-yl)methyl]-4-pyrrolidin-3-ylpiperazine;dihydrochloride (PubChem CID 154903114) has the molecular formula C18H33Cl2N5 and a molecular weight of 390.40 g/mol. Its IUPAC name is 1-[(3-cyclohexylimidazol-4-yl)methyl]-4-pyrrolidin-3-ylpiperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(3-cyclohexylimidazol-4-yl)methyl]-4-pyrrolidin-3-ylpiperazine;dihydrochloride
PubChem CID154903114
Molecular FormulaC18H33Cl2N5
Molecular Weight390.40 g/mol
Exact Mass389.21
IUPAC Name1-[(3-cyclohexylimidazol-4-yl)methyl]-4-pyrrolidin-3-ylpiperazine;dihydrochloride
SMILESCl.Cl.c1ncn(C2CCCCC2)c1CN1CCN(C2CCNC2)CC1
InChIInChI=1S/C18H31N5.2ClH/c1-2-4-16(5-3-1)23-15-20-13-18(23)14-21-8-10-22(11-9-21)17-6-7-19-12-17;;/h13,15-17,19H,1-12,14H2;2*1H
InChIKeyKEZKIRKMPAGQNX-UHFFFAOYSA-N
XLogP2.71
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclohexylimidazol-4-yl)methyl]-4-pyrrolidin-3-ylpiperazine;dihydrochloride?
The IUPAC name of 1-[(3-cyclohexylimidazol-4-yl)methyl]-4-pyrrolidin-3-ylpiperazine;dihydrochloride (CID 154903114) is 1-[(3-cyclohexylimidazol-4-yl)methyl]-4-pyrrolidin-3-ylpiperazine;dihydrochloride.
What is the SMILES notation for 1-[(3-cyclohexylimidazol-4-yl)methyl]-4-pyrrolidin-3-ylpiperazine;dihydrochloride?
The canonical SMILES for 1-[(3-cyclohexylimidazol-4-yl)methyl]-4-pyrrolidin-3-ylpiperazine;dihydrochloride is Cl.Cl.c1ncn(C2CCCCC2)c1CN1CCN(C2CCNC2)CC1.
What is the InChIKey of 1-[(3-cyclohexylimidazol-4-yl)methyl]-4-pyrrolidin-3-ylpiperazine;dihydrochloride?
The InChIKey is KEZKIRKMPAGQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5.2ClH/c1-2-4-16(5-3-1)23-15-20-13-18(23)14-21-8-10-22(11-9-21)17-6-7-19-12-17;;/h13,15-17,19H,1-12,14H2;2*1H.
What are the key properties of 1-[(3-cyclohexylimidazol-4-yl)methyl]-4-pyrrolidin-3-ylpiperazine;dihydrochloride?
1-[(3-cyclohexylimidazol-4-yl)methyl]-4-pyrrolidin-3-ylpiperazine;dihydrochloride has a molecular weight of 390.40 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclohexylimidazol-4-yl)methyl]-4-pyrrolidin-3-ylpiperazine;dihydrochloride is sourced from PubChem (CID 154903114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).