1-(2-bicyclo[2.2.1]heptanylmethyl)-2-cyclopropyl-5-methylpiperazine

C16H28N2 — CID 79550803

IUPAC1-(2-bicyclo[2.2.1]heptanylmethyl)-2-cyclopropyl-5-methylpiperazine
SMILESCC1CN(CC2CC3CCC2C3)C(C2CC2)CN1
InChIInChI=1S/C16H28N2/c1-11-9-18(16(8-17-11)13-4-5-13)10-15-7-12-2-3-14(15)6-12/h11-17H,2-10H2,1H3
InChIKeyRKGUGXURRWZJDN-UHFFFAOYSA-N
MW248.41 g/mol
LogP2.49
Rot. Bonds3

About 1-(2-bicyclo[2.2.1]heptanylmethyl)-2-cyclopropyl-5-methylpiperazine

1-(2-bicyclo[2.2.1]heptanylmethyl)-2-cyclopropyl-5-methylpiperazine (PubChem CID 79550803) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanylmethyl)-2-cyclopropyl-5-methylpiperazine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanylmethyl)-2-cyclopropyl-5-methylpiperazine
PubChem CID79550803
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1-(2-bicyclo[2.2.1]heptanylmethyl)-2-cyclopropyl-5-methylpiperazine
SMILESCC1CN(CC2CC3CCC2C3)C(C2CC2)CN1
InChIInChI=1S/C16H28N2/c1-11-9-18(16(8-17-11)13-4-5-13)10-15-7-12-2-3-14(15)6-12/h11-17H,2-10H2,1H3
InChIKeyRKGUGXURRWZJDN-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bicyclo[2.2.1]heptanylmethyl)-5-butan-2-yl-2-cyclopropylpiperazine
CID 79559224
1-(2-bicyclo[2.2.1]heptanylmethyl)-3,6-dimethyl-1,5-diazocane
CID 63686847
2-cyclopropyl-1-(2-methoxyethyl)-5-methylpiperazine
CID 64845102
1-(2-bicyclo[2.2.1]heptanylmethyl)-3,7-dimethyl-1,5-diazocane
CID 63684288
1-(2-bicyclo[2.2.1]heptanylmethyl)-2,6-dimethylpiperazine
CID 79558038
1-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dipropylpiperazine
CID 79550086
1-(2-bicyclo[2.2.1]heptanylmethyl)-2-butan-2-yl-5-cyclopropylpiperazine
CID 79559332
1-(2-bicyclo[2.2.1]heptanylmethyl)-4,6-dimethyl-1,5-diazocane
CID 63687029
2-cyclohexyl-5-methyl-1-[(5-methyloxolan-2-yl)methyl]piperazine
CID 103141210
2-cyclopropyl-1-[(4-iodophenyl)methyl]-5-methylpiperazine
CID 65488983
2-cyclopropyl-1,5-dimethylpiperazine
CID 64844116
(3aR,6aS)-5-(2-bicyclo[2.2.1]heptanylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120660823

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-2-cyclopropyl-5-methylpiperazine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-2-cyclopropyl-5-methylpiperazine (CID 79550803) is 1-(2-bicyclo[2.2.1]heptanylmethyl)-2-cyclopropyl-5-methylpiperazine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanylmethyl)-2-cyclopropyl-5-methylpiperazine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanylmethyl)-2-cyclopropyl-5-methylpiperazine is CC1CN(CC2CC3CCC2C3)C(C2CC2)CN1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanylmethyl)-2-cyclopropyl-5-methylpiperazine?
The InChIKey is RKGUGXURRWZJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-11-9-18(16(8-17-11)13-4-5-13)10-15-7-12-2-3-14(15)6-12/h11-17H,2-10H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanylmethyl)-2-cyclopropyl-5-methylpiperazine?
1-(2-bicyclo[2.2.1]heptanylmethyl)-2-cyclopropyl-5-methylpiperazine has a molecular weight of 248.41 g/mol, XLogP of 2.49, 3 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-cyclopropyl-5-methylpiperazine is sourced from PubChem (CID 79550803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).