1-(2-bicyclo[2.2.1]heptanylmethyl)-2,2-dimethyl-5-propylpiperazine

C17H32N2 — CID 79550176

IUPAC1-(2-bicyclo[2.2.1]heptanylmethyl)-2,2-dimethyl-5-propylpiperazine
SMILESCCCC1CN(CC2CC3CCC2C3)C(C)(C)CN1
InChIInChI=1S/C17H32N2/c1-4-5-16-11-19(17(2,3)12-18-16)10-15-9-13-6-7-14(15)8-13/h13-16,18H,4-12H2,1-3H3
InChIKeyRCKYRLZPCJDIGD-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.28
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]heptanylmethyl)-2,2-dimethyl-5-propylpiperazine

1-(2-bicyclo[2.2.1]heptanylmethyl)-2,2-dimethyl-5-propylpiperazine (PubChem CID 79550176) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanylmethyl)-2,2-dimethyl-5-propylpiperazine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanylmethyl)-2,2-dimethyl-5-propylpiperazine
PubChem CID79550176
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name1-(2-bicyclo[2.2.1]heptanylmethyl)-2,2-dimethyl-5-propylpiperazine
SMILESCCCC1CN(CC2CC3CCC2C3)C(C)(C)CN1
InChIInChI=1S/C17H32N2/c1-4-5-16-11-19(17(2,3)12-18-16)10-15-9-13-6-7-14(15)8-13/h13-16,18H,4-12H2,1-3H3
InChIKeyRCKYRLZPCJDIGD-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dipropylpiperazine
CID 79550086
2,2-dimethyl-1-(2-methylpropyl)-5-propylpiperazine
CID 64838610
5-(2-bicyclo[2.2.1]heptanylmethyl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 79558166
4-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-dimethyl-1,4-diazaspiro[5.5]undecane
CID 79558237
(2S)-2-propylbicyclo[2.2.1]heptane
CID 143719109
1-(3,3-dimethylbutyl)-2,2-dimethyl-5-propylpiperazine
CID 64838227
1-(cyclopropylmethyl)-2,2-diethyl-5-propylpiperazine
CID 64840755
1-(2-bicyclo[2.2.1]heptanyl)-2-methyl-5-propylpiperazine
CID 64942050
1-[(4-bromophenyl)methyl]-2,2-dimethyl-5-propylpiperazine
CID 64840164
2,2-dimethyl-1-[2-(3-methylbutoxy)ethyl]-5-propylpiperazine
CID 64839580
1-(2-bicyclo[2.2.1]heptanylmethyl)-2-cyclopropyl-5-methylpiperazine
CID 79550803
(1S,2S,4S)-2-butylbicyclo[2.2.1]heptane
CID 177495846

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-2,2-dimethyl-5-propylpiperazine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-2,2-dimethyl-5-propylpiperazine (CID 79550176) is 1-(2-bicyclo[2.2.1]heptanylmethyl)-2,2-dimethyl-5-propylpiperazine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanylmethyl)-2,2-dimethyl-5-propylpiperazine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanylmethyl)-2,2-dimethyl-5-propylpiperazine is CCCC1CN(CC2CC3CCC2C3)C(C)(C)CN1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanylmethyl)-2,2-dimethyl-5-propylpiperazine?
The InChIKey is RCKYRLZPCJDIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-4-5-16-11-19(17(2,3)12-18-16)10-15-9-13-6-7-14(15)8-13/h13-16,18H,4-12H2,1-3H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanylmethyl)-2,2-dimethyl-5-propylpiperazine?
1-(2-bicyclo[2.2.1]heptanylmethyl)-2,2-dimethyl-5-propylpiperazine has a molecular weight of 264.46 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanylmethyl)-2,2-dimethyl-5-propylpiperazine is sourced from PubChem (CID 79550176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).