1-(cyclopropylmethyl)-5,5-dimethyl-2-propan-2-ylpiperazine

C13H26N2 — CID 64840273

IUPAC1-(cyclopropylmethyl)-5,5-dimethyl-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C)(C)CN1CC1CC1
InChIInChI=1S/C13H26N2/c1-10(2)12-7-14-13(3,4)9-15(12)8-11-5-6-11/h10-12,14H,5-9H2,1-4H3
InChIKeyKSCQJTPXADALSR-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.10
Rot. Bonds3

About 1-(cyclopropylmethyl)-5,5-dimethyl-2-propan-2-ylpiperazine

1-(cyclopropylmethyl)-5,5-dimethyl-2-propan-2-ylpiperazine (PubChem CID 64840273) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5,5-dimethyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-5,5-dimethyl-2-propan-2-ylpiperazine
PubChem CID64840273
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name1-(cyclopropylmethyl)-5,5-dimethyl-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C)(C)CN1CC1CC1
InChIInChI=1S/C13H26N2/c1-10(2)12-7-14-13(3,4)9-15(12)8-11-5-6-11/h10-12,14H,5-9H2,1-4H3
InChIKeyKSCQJTPXADALSR-UHFFFAOYSA-N
XLogP2.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-5,5-dimethyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-(cyclopropylmethyl)-5,5-dimethyl-2-propan-2-ylpiperazine (CID 64840273) is 1-(cyclopropylmethyl)-5,5-dimethyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-(cyclopropylmethyl)-5,5-dimethyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-(cyclopropylmethyl)-5,5-dimethyl-2-propan-2-ylpiperazine is CC(C)C1CNC(C)(C)CN1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-5,5-dimethyl-2-propan-2-ylpiperazine?
The InChIKey is KSCQJTPXADALSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-10(2)12-7-14-13(3,4)9-15(12)8-11-5-6-11/h10-12,14H,5-9H2,1-4H3.
What are the key properties of 1-(cyclopropylmethyl)-5,5-dimethyl-2-propan-2-ylpiperazine?
1-(cyclopropylmethyl)-5,5-dimethyl-2-propan-2-ylpiperazine has a molecular weight of 210.36 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-5,5-dimethyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64840273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).