methyl 4-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]butanoate

C15H30N2O2 — CID 63849711

IUPACmethyl 4-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]butanoate
SMILESCOC(=O)CCCN1CCCC(CNCC(C)C)C1
InChIInChI=1S/C15H30N2O2/c1-13(2)10-16-11-14-6-4-8-17(12-14)9-5-7-15(18)19-3/h13-14,16H,4-12H2,1-3H3
InChIKeyKVOIQQRTBDQLTH-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.90
Rot. Bonds8

About methyl 4-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]butanoate

methyl 4-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]butanoate (PubChem CID 63849711) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is methyl 4-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]butanoate.

Molecular Properties

Compound Namemethyl 4-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]butanoate
PubChem CID63849711
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Namemethyl 4-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]butanoate
SMILESCOC(=O)CCCN1CCCC(CNCC(C)C)C1
InChIInChI=1S/C15H30N2O2/c1-13(2)10-16-11-14-6-4-8-17(12-14)9-5-7-15(18)19-3/h13-14,16H,4-12H2,1-3H3
InChIKeyKVOIQQRTBDQLTH-UHFFFAOYSA-N
XLogP1.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(3-ethoxypropyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 65175422
N,N-dimethyl-3-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide
CID 63849354
N-[(1-hept-6-enylpiperidin-3-yl)methyl]-2-methylpropan-1-amine
CID 107010261
2-methyl-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]propan-1-amine
CID 62591662
2-methyl-N-[[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 55081254
N-[[1-(2-tert-butylsulfonylethyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 106725817
N-[(1-but-2-enylpiperidin-3-yl)methyl]-2-methylpropan-1-amine
CID 77010187
2-methoxy-N-[[1-(4-methylpentyl)piperidin-3-yl]methyl]ethanamine
CID 83158446
N-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62593255
N-butan-2-yl-2-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]acetamide
CID 63849022
4-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N,N-dimethylbutanamide
CID 63847458
methyl 4-(azocan-1-yl)butanoate
CID 43377737

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]butanoate?
The IUPAC name of methyl 4-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]butanoate (CID 63849711) is methyl 4-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]butanoate.
What is the SMILES notation for methyl 4-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]butanoate?
The canonical SMILES for methyl 4-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]butanoate is COC(=O)CCCN1CCCC(CNCC(C)C)C1.
What is the InChIKey of methyl 4-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]butanoate?
The InChIKey is KVOIQQRTBDQLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-13(2)10-16-11-14-6-4-8-17(12-14)9-5-7-15(18)19-3/h13-14,16H,4-12H2,1-3H3.
What are the key properties of methyl 4-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]butanoate?
methyl 4-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]butanoate has a molecular weight of 270.42 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]butanoate is sourced from PubChem (CID 63849711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).