propan-2-yl 4-(pentan-2-ylamino)piperidine-1-carboxylate

C14H28N2O2 — CID 142975132

IUPACpropan-2-yl 4-(pentan-2-ylamino)piperidine-1-carboxylate
SMILESCCCC(C)NC1CCN(C(=O)OC(C)C)CC1
InChIInChI=1S/C14H28N2O2/c1-5-6-12(4)15-13-7-9-16(10-8-13)14(17)18-11(2)3/h11-13,15H,5-10H2,1-4H3
InChIKeyOAFLFMANCNDEKJ-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.77
Rot. Bonds5

About propan-2-yl 4-(pentan-2-ylamino)piperidine-1-carboxylate

propan-2-yl 4-(pentan-2-ylamino)piperidine-1-carboxylate (PubChem CID 142975132) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is propan-2-yl 4-(pentan-2-ylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-(pentan-2-ylamino)piperidine-1-carboxylate
PubChem CID142975132
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Namepropan-2-yl 4-(pentan-2-ylamino)piperidine-1-carboxylate
SMILESCCCC(C)NC1CCN(C(=O)OC(C)C)CC1
InChIInChI=1S/C14H28N2O2/c1-5-6-12(4)15-13-7-9-16(10-8-13)14(17)18-11(2)3/h11-13,15H,5-10H2,1-4H3
InChIKeyOAFLFMANCNDEKJ-UHFFFAOYSA-N
XLogP2.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(pentan-2-ylamino)azepane-1-carboxylate
CID 103980373
2,2-dimethyl-1-[4-(pentan-2-ylamino)piperidin-1-yl]propan-1-one
CID 43747722
propan-2-yl 3-(methylamino)pyrrolidine-1-carboxylate
CID 115300213
propan-2-yl 3-acetamidopyrrolidine-1-carboxylate
CID 77434024
propan-2-yl 4-propan-2-ylazepane-1-carboxylate
CID 116656252
propan-2-yl 3-(methoxycarbonylamino)pyrrolidine-1-carboxylate
CID 116657633
propan-2-yl 4-(pyrrolidine-1-carbonylamino)piperidine-1-carboxylate
CID 124559521
tert-butyl 4-(4-hydroxybutan-2-ylamino)piperidine-1-carboxylate
CID 79692176
propan-2-yl 4-pent-3-ynylpiperidine-1-carboxylate
CID 67133661
1-(cyclopropylmethyl)-N-pentan-2-ylpiperidin-4-amine
CID 115704112
ethane;propan-2-yl 4-(3-hydroxypropyl)piperidine-1-carboxylate
CID 143188885
ethyl 4-(1-methylsulfonylpropan-2-ylamino)piperidine-1-carboxylate
CID 64628906

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-(pentan-2-ylamino)piperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-(pentan-2-ylamino)piperidine-1-carboxylate (CID 142975132) is propan-2-yl 4-(pentan-2-ylamino)piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-(pentan-2-ylamino)piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-(pentan-2-ylamino)piperidine-1-carboxylate is CCCC(C)NC1CCN(C(=O)OC(C)C)CC1.
What is the InChIKey of propan-2-yl 4-(pentan-2-ylamino)piperidine-1-carboxylate?
The InChIKey is OAFLFMANCNDEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-5-6-12(4)15-13-7-9-16(10-8-13)14(17)18-11(2)3/h11-13,15H,5-10H2,1-4H3.
What are the key properties of propan-2-yl 4-(pentan-2-ylamino)piperidine-1-carboxylate?
propan-2-yl 4-(pentan-2-ylamino)piperidine-1-carboxylate has a molecular weight of 256.39 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-(pentan-2-ylamino)piperidine-1-carboxylate is sourced from PubChem (CID 142975132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).