methane;1-(piperidin-4-ylmethyl)-4-(2-propan-2-yloxyethyl)piperazine;prop-1-ene

C19H41N3O — CID 156867170

IUPACmethane;1-(piperidin-4-ylmethyl)-4-(2-propan-2-yloxyethyl)piperazine;prop-1-ene
SMILESC.C=CC.CC(C)OCCN1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C15H31N3O.C3H6.CH4/c1-14(2)19-12-11-17-7-9-18(10-8-17)13-15-3-5-16-6-4-15;1-3-2;/h14-16H,3-13H2,1-2H3;3H,1H2,2H3;1H4
InChIKeyBVQSSFKWJBPSDX-UHFFFAOYSA-N
MW327.56 g/mol
LogP2.86
Rot. Bonds6

About methane;1-(piperidin-4-ylmethyl)-4-(2-propan-2-yloxyethyl)piperazine;prop-1-ene

methane;1-(piperidin-4-ylmethyl)-4-(2-propan-2-yloxyethyl)piperazine;prop-1-ene (PubChem CID 156867170) has the molecular formula C19H41N3O and a molecular weight of 327.56 g/mol. Its IUPAC name is methane;1-(piperidin-4-ylmethyl)-4-(2-propan-2-yloxyethyl)piperazine;prop-1-ene.

Molecular Properties

Compound Namemethane;1-(piperidin-4-ylmethyl)-4-(2-propan-2-yloxyethyl)piperazine;prop-1-ene
PubChem CID156867170
Molecular FormulaC19H41N3O
Molecular Weight327.56 g/mol
Exact Mass327.32
IUPAC Namemethane;1-(piperidin-4-ylmethyl)-4-(2-propan-2-yloxyethyl)piperazine;prop-1-ene
SMILESC.C=CC.CC(C)OCCN1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C15H31N3O.C3H6.CH4/c1-14(2)19-12-11-17-7-9-18(10-8-17)13-15-3-5-16-6-4-15;1-3-2;/h14-16H,3-13H2,1-2H3;3H,1H2,2H3;1H4
InChIKeyBVQSSFKWJBPSDX-UHFFFAOYSA-N
XLogP2.86
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.56
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methane;1-(piperidin-4-ylmethyl)-4-(2-propan-2-yloxyethyl)piperazine;prop-1-ene?
The IUPAC name of methane;1-(piperidin-4-ylmethyl)-4-(2-propan-2-yloxyethyl)piperazine;prop-1-ene (CID 156867170) is methane;1-(piperidin-4-ylmethyl)-4-(2-propan-2-yloxyethyl)piperazine;prop-1-ene.
What is the SMILES notation for methane;1-(piperidin-4-ylmethyl)-4-(2-propan-2-yloxyethyl)piperazine;prop-1-ene?
The canonical SMILES for methane;1-(piperidin-4-ylmethyl)-4-(2-propan-2-yloxyethyl)piperazine;prop-1-ene is C.C=CC.CC(C)OCCN1CCN(CC2CCNCC2)CC1.
What is the InChIKey of methane;1-(piperidin-4-ylmethyl)-4-(2-propan-2-yloxyethyl)piperazine;prop-1-ene?
The InChIKey is BVQSSFKWJBPSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O.C3H6.CH4/c1-14(2)19-12-11-17-7-9-18(10-8-17)13-15-3-5-16-6-4-15;1-3-2;/h14-16H,3-13H2,1-2H3;3H,1H2,2H3;1H4.
What are the key properties of methane;1-(piperidin-4-ylmethyl)-4-(2-propan-2-yloxyethyl)piperazine;prop-1-ene?
methane;1-(piperidin-4-ylmethyl)-4-(2-propan-2-yloxyethyl)piperazine;prop-1-ene has a molecular weight of 327.56 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-(piperidin-4-ylmethyl)-4-(2-propan-2-yloxyethyl)piperazine;prop-1-ene is sourced from PubChem (CID 156867170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).