1-(cyclohexylmethyl)-4-[[(2S)-oxolan-2-yl]methyl]piperazine

C16H30N2O — CID 94698376

IUPAC1-(cyclohexylmethyl)-4-[[(2S)-oxolan-2-yl]methyl]piperazine
SMILESC1CCC(CN2CCN(C[C@@H]3CCCO3)CC2)CC1
InChIInChI=1S/C16H30N2O/c1-2-5-15(6-3-1)13-17-8-10-18(11-9-17)14-16-7-4-12-19-16/h15-16H,1-14H2/t16-/m0/s1
InChIKeyACHVBDFGXRWLNG-INIZCTEOSA-N
MW266.43 g/mol
LogP2.36
Rot. Bonds4

About 1-(cyclohexylmethyl)-4-[[(2S)-oxolan-2-yl]methyl]piperazine

1-(cyclohexylmethyl)-4-[[(2S)-oxolan-2-yl]methyl]piperazine (PubChem CID 94698376) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-4-[[(2S)-oxolan-2-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-4-[[(2S)-oxolan-2-yl]methyl]piperazine
PubChem CID94698376
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-(cyclohexylmethyl)-4-[[(2S)-oxolan-2-yl]methyl]piperazine
SMILESC1CCC(CN2CCN(C[C@@H]3CCCO3)CC2)CC1
InChIInChI=1S/C16H30N2O/c1-2-5-15(6-3-1)13-17-8-10-18(11-9-17)14-16-7-4-12-19-16/h15-16H,1-14H2/t16-/m0/s1
InChIKeyACHVBDFGXRWLNG-INIZCTEOSA-N
XLogP2.36
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-4-[[(2S)-oxolan-2-yl]methyl]piperazine?
The IUPAC name of 1-(cyclohexylmethyl)-4-[[(2S)-oxolan-2-yl]methyl]piperazine (CID 94698376) is 1-(cyclohexylmethyl)-4-[[(2S)-oxolan-2-yl]methyl]piperazine.
What is the SMILES notation for 1-(cyclohexylmethyl)-4-[[(2S)-oxolan-2-yl]methyl]piperazine?
The canonical SMILES for 1-(cyclohexylmethyl)-4-[[(2S)-oxolan-2-yl]methyl]piperazine is C1CCC(CN2CCN(C[C@@H]3CCCO3)CC2)CC1.
What is the InChIKey of 1-(cyclohexylmethyl)-4-[[(2S)-oxolan-2-yl]methyl]piperazine?
The InChIKey is ACHVBDFGXRWLNG-INIZCTEOSA-N. The full InChI is InChI=1S/C16H30N2O/c1-2-5-15(6-3-1)13-17-8-10-18(11-9-17)14-16-7-4-12-19-16/h15-16H,1-14H2/t16-/m0/s1.
What are the key properties of 1-(cyclohexylmethyl)-4-[[(2S)-oxolan-2-yl]methyl]piperazine?
1-(cyclohexylmethyl)-4-[[(2S)-oxolan-2-yl]methyl]piperazine has a molecular weight of 266.43 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-4-[[(2S)-oxolan-2-yl]methyl]piperazine is sourced from PubChem (CID 94698376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).