1-(cyclohexylmethyl)-4-propan-2-ylpiperazine

C14H28N2 — CID 21303255

IUPAC1-(cyclohexylmethyl)-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C14H28N2/c1-13(2)16-10-8-15(9-11-16)12-14-6-4-3-5-7-14/h13-14H,3-12H2,1-2H3
InChIKeyQABCZKSVWXCKIK-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.59
Rot. Bonds3

About 1-(cyclohexylmethyl)-4-propan-2-ylpiperazine

1-(cyclohexylmethyl)-4-propan-2-ylpiperazine (PubChem CID 21303255) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-4-propan-2-ylpiperazine
PubChem CID21303255
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-(cyclohexylmethyl)-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C14H28N2/c1-13(2)16-10-8-15(9-11-16)12-14-6-4-3-5-7-14/h13-14H,3-12H2,1-2H3
InChIKeyQABCZKSVWXCKIK-UHFFFAOYSA-N
XLogP2.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-4-propan-2-ylpiperazine?
The IUPAC name of 1-(cyclohexylmethyl)-4-propan-2-ylpiperazine (CID 21303255) is 1-(cyclohexylmethyl)-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-(cyclohexylmethyl)-4-propan-2-ylpiperazine?
The canonical SMILES for 1-(cyclohexylmethyl)-4-propan-2-ylpiperazine is CC(C)N1CCN(CC2CCCCC2)CC1.
What is the InChIKey of 1-(cyclohexylmethyl)-4-propan-2-ylpiperazine?
The InChIKey is QABCZKSVWXCKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-13(2)16-10-8-15(9-11-16)12-14-6-4-3-5-7-14/h13-14H,3-12H2,1-2H3.
What are the key properties of 1-(cyclohexylmethyl)-4-propan-2-ylpiperazine?
1-(cyclohexylmethyl)-4-propan-2-ylpiperazine has a molecular weight of 224.39 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-4-propan-2-ylpiperazine is sourced from PubChem (CID 21303255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).