1-cyclopropyl-4-(2,2-dimethylpropyl)piperazine;1-(2,2-dimethylpropyl)-4-(1-methylpiperidin-4-yl)piperazine

C27H55N5 — CID 160625863

IUPAC1-cyclopropyl-4-(2,2-dimethylpropyl)piperazine;1-(2,2-dimethylpropyl)-4-(1-methylpiperidin-4-yl)piperazine
SMILESCC(C)(C)CN1CCN(C2CC2)CC1.CN1CCC(N2CCN(CC(C)(C)C)CC2)CC1
InChIInChI=1S/C15H31N3.C12H24N2/c1-15(2,3)13-17-9-11-18(12-10-17)14-5-7-16(4)8-6-14;1-12(2,3)10-13-6-8-14(9-7-13)11-4-5-11/h14H,5-13H2,1-4H3;11H,4-10H2,1-3H3
InChIKeyRHHDJCVPVRGFHY-UHFFFAOYSA-N
MW449.77 g/mol
LogP3.56
Rot. Bonds4

About 1-cyclopropyl-4-(2,2-dimethylpropyl)piperazine;1-(2,2-dimethylpropyl)-4-(1-methylpiperidin-4-yl)piperazine

1-cyclopropyl-4-(2,2-dimethylpropyl)piperazine;1-(2,2-dimethylpropyl)-4-(1-methylpiperidin-4-yl)piperazine (PubChem CID 160625863) has the molecular formula C27H55N5 and a molecular weight of 449.77 g/mol. Its IUPAC name is 1-cyclopropyl-4-(2,2-dimethylpropyl)piperazine;1-(2,2-dimethylpropyl)-4-(1-methylpiperidin-4-yl)piperazine.

Molecular Properties

Compound Name1-cyclopropyl-4-(2,2-dimethylpropyl)piperazine;1-(2,2-dimethylpropyl)-4-(1-methylpiperidin-4-yl)piperazine
PubChem CID160625863
Molecular FormulaC27H55N5
Molecular Weight449.77 g/mol
Exact Mass449.45
IUPAC Name1-cyclopropyl-4-(2,2-dimethylpropyl)piperazine;1-(2,2-dimethylpropyl)-4-(1-methylpiperidin-4-yl)piperazine
SMILESCC(C)(C)CN1CCN(C2CC2)CC1.CN1CCC(N2CCN(CC(C)(C)C)CC2)CC1
InChIInChI=1S/C15H31N3.C12H24N2/c1-15(2,3)13-17-9-11-18(12-10-17)14-5-7-16(4)8-6-14;1-12(2,3)10-13-6-8-14(9-7-13)11-4-5-11/h14H,5-13H2,1-4H3;11H,4-10H2,1-3H3
InChIKeyRHHDJCVPVRGFHY-UHFFFAOYSA-N
XLogP3.56
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.77
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,2-dimethylpropyl)-4-methylpiperazine
CID 12566800
1-(2,2-dimethylpropyl)-4-methylpiperazine;1-(2,2-dimethylpropyl)-4-methylpiperidine
CID 157215210
ethane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 144911273
1-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 91309276
1-methyl-4-[1-[2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]piperidin-4-yl]piperazine
CID 129212775
1-[3-(4-ethylcyclohexyl)propyl]-4-(1-methylpiperidin-4-yl)piperazine
CID 166946013
1-(1-methylpiperidin-4-yl)-4-[2-[(3S)-1-methylpyrrolidin-3-yl]ethyl]piperazine
CID 167265160
3-(4-cyclopropylpiperazin-1-yl)-2,2-dimethylpropanoic acid
CID 62269991
1-(2,2-dimethylpropyl)-4-[(3S,5R)-5-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-yl]piperazine
CID 176594565
[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanethiol
CID 163434092
N-[3-(4-cyclopropylpiperazin-1-yl)-2,2-dimethylpropyl]cyclopropanamine
CID 55056217
1-[4-(4-ethylcyclohexyl)piperazin-1-yl]-2-methylpropan-2-ol
CID 64776099

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(2,2-dimethylpropyl)piperazine;1-(2,2-dimethylpropyl)-4-(1-methylpiperidin-4-yl)piperazine?
The IUPAC name of 1-cyclopropyl-4-(2,2-dimethylpropyl)piperazine;1-(2,2-dimethylpropyl)-4-(1-methylpiperidin-4-yl)piperazine (CID 160625863) is 1-cyclopropyl-4-(2,2-dimethylpropyl)piperazine;1-(2,2-dimethylpropyl)-4-(1-methylpiperidin-4-yl)piperazine.
What is the SMILES notation for 1-cyclopropyl-4-(2,2-dimethylpropyl)piperazine;1-(2,2-dimethylpropyl)-4-(1-methylpiperidin-4-yl)piperazine?
The canonical SMILES for 1-cyclopropyl-4-(2,2-dimethylpropyl)piperazine;1-(2,2-dimethylpropyl)-4-(1-methylpiperidin-4-yl)piperazine is CC(C)(C)CN1CCN(C2CC2)CC1.CN1CCC(N2CCN(CC(C)(C)C)CC2)CC1.
What is the InChIKey of 1-cyclopropyl-4-(2,2-dimethylpropyl)piperazine;1-(2,2-dimethylpropyl)-4-(1-methylpiperidin-4-yl)piperazine?
The InChIKey is RHHDJCVPVRGFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3.C12H24N2/c1-15(2,3)13-17-9-11-18(12-10-17)14-5-7-16(4)8-6-14;1-12(2,3)10-13-6-8-14(9-7-13)11-4-5-11/h14H,5-13H2,1-4H3;11H,4-10H2,1-3H3.
What are the key properties of 1-cyclopropyl-4-(2,2-dimethylpropyl)piperazine;1-(2,2-dimethylpropyl)-4-(1-methylpiperidin-4-yl)piperazine?
1-cyclopropyl-4-(2,2-dimethylpropyl)piperazine;1-(2,2-dimethylpropyl)-4-(1-methylpiperidin-4-yl)piperazine has a molecular weight of 449.77 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(2,2-dimethylpropyl)piperazine;1-(2,2-dimethylpropyl)-4-(1-methylpiperidin-4-yl)piperazine is sourced from PubChem (CID 160625863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).