methyl 3-(4-tert-butylpiperidin-1-yl)-2-(propylamino)propanoate

C16H32N2O2 — CID 62089886

IUPACmethyl 3-(4-tert-butylpiperidin-1-yl)-2-(propylamino)propanoate
SMILESCCCNC(CN1CCC(C(C)(C)C)CC1)C(=O)OC
InChIInChI=1S/C16H32N2O2/c1-6-9-17-14(15(19)20-5)12-18-10-7-13(8-11-18)16(2,3)4/h13-14,17H,6-12H2,1-5H3
InChIKeyNFAJAOWMHPYVTL-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.29
Rot. Bonds6

About methyl 3-(4-tert-butylpiperidin-1-yl)-2-(propylamino)propanoate

methyl 3-(4-tert-butylpiperidin-1-yl)-2-(propylamino)propanoate (PubChem CID 62089886) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is methyl 3-(4-tert-butylpiperidin-1-yl)-2-(propylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(4-tert-butylpiperidin-1-yl)-2-(propylamino)propanoate
PubChem CID62089886
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Namemethyl 3-(4-tert-butylpiperidin-1-yl)-2-(propylamino)propanoate
SMILESCCCNC(CN1CCC(C(C)(C)C)CC1)C(=O)OC
InChIInChI=1S/C16H32N2O2/c1-6-9-17-14(15(19)20-5)12-18-10-7-13(8-11-18)16(2,3)4/h13-14,17H,6-12H2,1-5H3
InChIKeyNFAJAOWMHPYVTL-UHFFFAOYSA-N
XLogP2.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(4-tert-butylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate
CID 62091822
methyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(propylamino)propanoate
CID 64583946
methyl 3-(3,4-dimethylpyrrolidin-1-yl)-2-(propylamino)propanoate
CID 79183530
methyl 3-(4-butan-2-ylpiperazin-1-yl)-2-(propylamino)propanoate
CID 62773852
methyl 4-(4-tert-butylpiperidin-1-yl)-2-(methylamino)butanoate
CID 63054691
methyl 4-(4-methoxypiperidin-1-yl)-2-(propylamino)butanoate
CID 63029608
methyl 4-(3-methoxypyrrolidin-1-yl)-2-(propylamino)butanoate
CID 103537953
methyl 3-(3-ethyl-4-methylpiperazin-1-yl)-2-(propylamino)propanoate
CID 63633851
methyl 4-[(1-ethylpiperidin-4-yl)-methylamino]-2-(propylamino)butanoate
CID 63053941
methyl 4-(4,4-dimethylpiperidin-1-yl)-2-(propylamino)butanoate
CID 55145293
2-(propylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanamide
CID 63009895
1-(4-tert-butylpiperidin-1-yl)pentan-2-amine
CID 62089164

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-tert-butylpiperidin-1-yl)-2-(propylamino)propanoate?
The IUPAC name of methyl 3-(4-tert-butylpiperidin-1-yl)-2-(propylamino)propanoate (CID 62089886) is methyl 3-(4-tert-butylpiperidin-1-yl)-2-(propylamino)propanoate.
What is the SMILES notation for methyl 3-(4-tert-butylpiperidin-1-yl)-2-(propylamino)propanoate?
The canonical SMILES for methyl 3-(4-tert-butylpiperidin-1-yl)-2-(propylamino)propanoate is CCCNC(CN1CCC(C(C)(C)C)CC1)C(=O)OC.
What is the InChIKey of methyl 3-(4-tert-butylpiperidin-1-yl)-2-(propylamino)propanoate?
The InChIKey is NFAJAOWMHPYVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-6-9-17-14(15(19)20-5)12-18-10-7-13(8-11-18)16(2,3)4/h13-14,17H,6-12H2,1-5H3.
What are the key properties of methyl 3-(4-tert-butylpiperidin-1-yl)-2-(propylamino)propanoate?
methyl 3-(4-tert-butylpiperidin-1-yl)-2-(propylamino)propanoate has a molecular weight of 284.44 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-tert-butylpiperidin-1-yl)-2-(propylamino)propanoate is sourced from PubChem (CID 62089886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).