tert-butyl N-cyclopropyl-N-[[(2S)-piperidin-2-yl]methyl]carbamate

C14H26N2O2 — CID 96555647

IUPACtert-butyl N-cyclopropyl-N-[[(2S)-piperidin-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)N(C[C@@H]1CCCCN1)C1CC1
InChIInChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16(12-7-8-12)10-11-6-4-5-9-15-11/h11-12,15H,4-10H2,1-3H3/t11-/m0/s1
InChIKeyVZWZMTQGRGMWAN-NSHDSACASA-N
MW254.37 g/mol
LogP2.53
Rot. Bonds3

About tert-butyl N-cyclopropyl-N-[[(2S)-piperidin-2-yl]methyl]carbamate

tert-butyl N-cyclopropyl-N-[[(2S)-piperidin-2-yl]methyl]carbamate (PubChem CID 96555647) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is tert-butyl N-cyclopropyl-N-[[(2S)-piperidin-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-cyclopropyl-N-[[(2S)-piperidin-2-yl]methyl]carbamate
PubChem CID96555647
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nametert-butyl N-cyclopropyl-N-[[(2S)-piperidin-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)N(C[C@@H]1CCCCN1)C1CC1
InChIInChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16(12-7-8-12)10-11-6-4-5-9-15-11/h11-12,15H,4-10H2,1-3H3/t11-/m0/s1
InChIKeyVZWZMTQGRGMWAN-NSHDSACASA-N
XLogP2.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-cyclopropyl-N-[2-(1-piperidin-2-ylpropan-2-ylamino)ethyl]carbamate
CID 107246413
N-cyclopropyl-N-(piperidin-2-ylmethyl)acetamide
CID 66569474
tert-butyl N-methyl-N-(2-piperidin-2-ylethyl)carbamate
CID 43187181
tert-butyl N-(cyclohexylmethyl)-N-piperidin-4-ylcarbamate
CID 22120289
propan-2-yl N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)carbamate
CID 106599450
N-tert-butyl-2-[cyclopropyl(piperidin-2-ylmethyl)amino]propanamide
CID 106631536
1-cyclopropyl-3-ethyl-3-methyl-1-(piperidin-2-ylmethyl)urea
CID 106629707
3-tert-butyl-1-methyl-1-(piperidin-2-ylmethyl)urea
CID 106629792
methyl 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 67008317
tert-butyl N-[2-(piperidin-2-ylmethylamino)ethyl]-N-propylcarbamate
CID 107246109
(Z)-N-cyclopropyl-2-methyl-N-(piperidin-2-ylmethyl)pent-2-enamide
CID 106626717
2-methoxy-N,2-dimethyl-N-(piperidin-2-ylmethyl)propanamide
CID 106627251

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-cyclopropyl-N-[[(2S)-piperidin-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-cyclopropyl-N-[[(2S)-piperidin-2-yl]methyl]carbamate (CID 96555647) is tert-butyl N-cyclopropyl-N-[[(2S)-piperidin-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-cyclopropyl-N-[[(2S)-piperidin-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-cyclopropyl-N-[[(2S)-piperidin-2-yl]methyl]carbamate is CC(C)(C)OC(=O)N(C[C@@H]1CCCCN1)C1CC1.
What is the InChIKey of tert-butyl N-cyclopropyl-N-[[(2S)-piperidin-2-yl]methyl]carbamate?
The InChIKey is VZWZMTQGRGMWAN-NSHDSACASA-N. The full InChI is InChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16(12-7-8-12)10-11-6-4-5-9-15-11/h11-12,15H,4-10H2,1-3H3/t11-/m0/s1.
What are the key properties of tert-butyl N-cyclopropyl-N-[[(2S)-piperidin-2-yl]methyl]carbamate?
tert-butyl N-cyclopropyl-N-[[(2S)-piperidin-2-yl]methyl]carbamate has a molecular weight of 254.37 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclopropyl-N-[[(2S)-piperidin-2-yl]methyl]carbamate is sourced from PubChem (CID 96555647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).