[4-[(tert-butylamino)methyl]piperidin-1-yl]-cyclopropylmethanone

C14H26N2O — CID 134166280

IUPAC[4-[(tert-butylamino)methyl]piperidin-1-yl]-cyclopropylmethanone
SMILESCC(C)(C)NCC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C14H26N2O/c1-14(2,3)15-10-11-6-8-16(9-7-11)13(17)12-4-5-12/h11-12,15H,4-10H2,1-3H3
InChIKeyYMKILNNEWWKKSR-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.02
Rot. Bonds3

About [4-[(tert-butylamino)methyl]piperidin-1-yl]-cyclopropylmethanone

[4-[(tert-butylamino)methyl]piperidin-1-yl]-cyclopropylmethanone (PubChem CID 134166280) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is [4-[(tert-butylamino)methyl]piperidin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-[(tert-butylamino)methyl]piperidin-1-yl]-cyclopropylmethanone
PubChem CID134166280
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name[4-[(tert-butylamino)methyl]piperidin-1-yl]-cyclopropylmethanone
SMILESCC(C)(C)NCC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C14H26N2O/c1-14(2,3)15-10-11-6-8-16(9-7-11)13(17)12-4-5-12/h11-12,15H,4-10H2,1-3H3
InChIKeyYMKILNNEWWKKSR-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 169490468
cyclopropyl-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80552531
[4-[2-(tert-butylamino)ethylamino]piperidin-1-yl]-cyclopropylmethanone
CID 107445266
cyclopropyl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 121200495
cyclopropyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 43747911
N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-5-methyl-2H-triazole-4-carboxamide
CID 118796064
cyclopropyl-(4-propylazepan-1-yl)methanone
CID 49008153
cyclopropyl-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone
CID 110736017
N-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide
CID 108932892
2-[4-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethylacetamide
CID 63849644
4-[4-[(tert-butylamino)methyl]piperidin-1-yl]butan-1-ol
CID 63848432
N-tert-butyl-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146258

Frequently Asked Questions

What is the IUPAC name of [4-[(tert-butylamino)methyl]piperidin-1-yl]-cyclopropylmethanone?
The IUPAC name of [4-[(tert-butylamino)methyl]piperidin-1-yl]-cyclopropylmethanone (CID 134166280) is [4-[(tert-butylamino)methyl]piperidin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-[(tert-butylamino)methyl]piperidin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [4-[(tert-butylamino)methyl]piperidin-1-yl]-cyclopropylmethanone is CC(C)(C)NCC1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of [4-[(tert-butylamino)methyl]piperidin-1-yl]-cyclopropylmethanone?
The InChIKey is YMKILNNEWWKKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-14(2,3)15-10-11-6-8-16(9-7-11)13(17)12-4-5-12/h11-12,15H,4-10H2,1-3H3.
What are the key properties of [4-[(tert-butylamino)methyl]piperidin-1-yl]-cyclopropylmethanone?
[4-[(tert-butylamino)methyl]piperidin-1-yl]-cyclopropylmethanone has a molecular weight of 238.37 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(tert-butylamino)methyl]piperidin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 134166280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).