methyl 2-[4-(cyclopropylmethyl)piperazin-1-yl]propanoate

C12H22N2O2 — CID 60965667

IUPACmethyl 2-[4-(cyclopropylmethyl)piperazin-1-yl]propanoate
SMILESCOC(=O)C(C)N1CCN(CC2CC2)CC1
InChIInChI=1S/C12H22N2O2/c1-10(12(15)16-2)14-7-5-13(6-8-14)9-11-3-4-11/h10-11H,3-9H2,1-2H3
InChIKeyNBBYFBFUGYLTTQ-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.58
Rot. Bonds4

About methyl 2-[4-(cyclopropylmethyl)piperazin-1-yl]propanoate

methyl 2-[4-(cyclopropylmethyl)piperazin-1-yl]propanoate (PubChem CID 60965667) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is methyl 2-[4-(cyclopropylmethyl)piperazin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-[4-(cyclopropylmethyl)piperazin-1-yl]propanoate
PubChem CID60965667
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Namemethyl 2-[4-(cyclopropylmethyl)piperazin-1-yl]propanoate
SMILESCOC(=O)C(C)N1CCN(CC2CC2)CC1
InChIInChI=1S/C12H22N2O2/c1-10(12(15)16-2)14-7-5-13(6-8-14)9-11-3-4-11/h10-11H,3-9H2,1-2H3
InChIKeyNBBYFBFUGYLTTQ-UHFFFAOYSA-N
XLogP0.58
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]propanoate
CID 94526452
2-[4-(cyclopentylmethyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 163344457
ethyl 4-[(2R)-1-methoxy-1-oxopropan-2-yl]piperazine-1-carboxylate
CID 40525482
ethyl 4-(1-methoxy-1-oxopropan-2-yl)piperazine-1-carboxylate
CID 3788456
ethyl 1-(1-methoxy-1-oxopropan-2-yl)piperidine-4-carboxylate
CID 47016252
3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylbutanoic acid
CID 79407238
methyl (2R)-2-[4-(2-cyclohexylacetyl)piperazin-1-yl]propanoate
CID 95292536
ethyl (2S)-2-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]propanoate
CID 52870602
(2S)-N-cyclopentyl-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]propanamide
CID 124612749
methyl (2R)-2-morpholin-4-ylpropanoate
CID 30030777
methyl 2-(3-hydroxypyrrolidin-1-yl)propanoate
CID 62918498
(4-propan-2-ylpiperazin-1-yl)-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]methanone
CID 166021048

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(cyclopropylmethyl)piperazin-1-yl]propanoate?
The IUPAC name of methyl 2-[4-(cyclopropylmethyl)piperazin-1-yl]propanoate (CID 60965667) is methyl 2-[4-(cyclopropylmethyl)piperazin-1-yl]propanoate.
What is the SMILES notation for methyl 2-[4-(cyclopropylmethyl)piperazin-1-yl]propanoate?
The canonical SMILES for methyl 2-[4-(cyclopropylmethyl)piperazin-1-yl]propanoate is COC(=O)C(C)N1CCN(CC2CC2)CC1.
What is the InChIKey of methyl 2-[4-(cyclopropylmethyl)piperazin-1-yl]propanoate?
The InChIKey is NBBYFBFUGYLTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-10(12(15)16-2)14-7-5-13(6-8-14)9-11-3-4-11/h10-11H,3-9H2,1-2H3.
What are the key properties of methyl 2-[4-(cyclopropylmethyl)piperazin-1-yl]propanoate?
methyl 2-[4-(cyclopropylmethyl)piperazin-1-yl]propanoate has a molecular weight of 226.32 g/mol, XLogP of 0.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(cyclopropylmethyl)piperazin-1-yl]propanoate is sourced from PubChem (CID 60965667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).