methyl 4-(cyclopropylmethylamino)-1-propylpiperidine-4-carboxylate

C14H26N2O2 — CID 54894020

IUPACmethyl 4-(cyclopropylmethylamino)-1-propylpiperidine-4-carboxylate
SMILESCCCN1CCC(NCC2CC2)(C(=O)OC)CC1
InChIInChI=1S/C14H26N2O2/c1-3-8-16-9-6-14(7-10-16,13(17)18-2)15-11-12-4-5-12/h12,15H,3-11H2,1-2H3
InChIKeyFSCUZPIJWRIWIJ-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.40
Rot. Bonds6

About methyl 4-(cyclopropylmethylamino)-1-propylpiperidine-4-carboxylate

methyl 4-(cyclopropylmethylamino)-1-propylpiperidine-4-carboxylate (PubChem CID 54894020) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is methyl 4-(cyclopropylmethylamino)-1-propylpiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-(cyclopropylmethylamino)-1-propylpiperidine-4-carboxylate
PubChem CID54894020
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Namemethyl 4-(cyclopropylmethylamino)-1-propylpiperidine-4-carboxylate
SMILESCCCN1CCC(NCC2CC2)(C(=O)OC)CC1
InChIInChI=1S/C14H26N2O2/c1-3-8-16-9-6-14(7-10-16,13(17)18-2)15-11-12-4-5-12/h12,15H,3-11H2,1-2H3
InChIKeyFSCUZPIJWRIWIJ-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(cyclopropylmethylamino)-1-propylpiperidine-4-carboxylate
CID 54894217
methyl 4-(methylamino)-1-propylpiperidine-4-carboxylate
CID 60787071
methyl 4-(benzylamino)-1-propylpiperidine-4-carboxylate
CID 60992679
methyl 4-(cyclohexylamino)-1-propylazepane-4-carboxylate
CID 65075656
methyl 4-(cyclopropylmethylamino)-1-propan-2-ylazepane-4-carboxylate
CID 65076110
4-(cyclopropylamino)-1-propylpiperidine-4-carboxamide
CID 60796952
methyl 3-(cyclopropylmethylamino)-1,1-dioxothiolane-3-carboxylate
CID 63166297
methyl 4-ethyl-1-(ethylamino)cyclohexane-1-carboxylate
CID 60787527
4-(2-azidoethylamino)-1-propylpiperidine-4-carboxamide
CID 66189058
ethane;methyl 2-(1-propylpiperidin-4-yl)acetate
CID 143432640
2-amino-N-[(1-propylpiperidin-4-yl)methyl]acetamide;dihydrochloride
CID 119861461
methyl 2-(4-hydroxy-1-propylpiperidin-4-yl)butanoate
CID 62394199

Frequently Asked Questions

What is the IUPAC name of methyl 4-(cyclopropylmethylamino)-1-propylpiperidine-4-carboxylate?
The IUPAC name of methyl 4-(cyclopropylmethylamino)-1-propylpiperidine-4-carboxylate (CID 54894020) is methyl 4-(cyclopropylmethylamino)-1-propylpiperidine-4-carboxylate.
What is the SMILES notation for methyl 4-(cyclopropylmethylamino)-1-propylpiperidine-4-carboxylate?
The canonical SMILES for methyl 4-(cyclopropylmethylamino)-1-propylpiperidine-4-carboxylate is CCCN1CCC(NCC2CC2)(C(=O)OC)CC1.
What is the InChIKey of methyl 4-(cyclopropylmethylamino)-1-propylpiperidine-4-carboxylate?
The InChIKey is FSCUZPIJWRIWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-3-8-16-9-6-14(7-10-16,13(17)18-2)15-11-12-4-5-12/h12,15H,3-11H2,1-2H3.
What are the key properties of methyl 4-(cyclopropylmethylamino)-1-propylpiperidine-4-carboxylate?
methyl 4-(cyclopropylmethylamino)-1-propylpiperidine-4-carboxylate has a molecular weight of 254.37 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(cyclopropylmethylamino)-1-propylpiperidine-4-carboxylate is sourced from PubChem (CID 54894020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).