tert-butyl N-[2-(piperidin-3-ylmethylamino)cyclopropyl]carbamate

C14H27N3O2 — CID 107237689

IUPACtert-butyl N-[2-(piperidin-3-ylmethylamino)cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC1NCC1CCCNC1
InChIInChI=1S/C14H27N3O2/c1-14(2,3)19-13(18)17-12-7-11(12)16-9-10-5-4-6-15-8-10/h10-12,15-16H,4-9H2,1-3H3,(H,17,18)
InChIKeyLMLVQVZQLMNNIK-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.24
Rot. Bonds4

About tert-butyl N-[2-(piperidin-3-ylmethylamino)cyclopropyl]carbamate

tert-butyl N-[2-(piperidin-3-ylmethylamino)cyclopropyl]carbamate (PubChem CID 107237689) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is tert-butyl N-[2-(piperidin-3-ylmethylamino)cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(piperidin-3-ylmethylamino)cyclopropyl]carbamate
PubChem CID107237689
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Nametert-butyl N-[2-(piperidin-3-ylmethylamino)cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC1NCC1CCCNC1
InChIInChI=1S/C14H27N3O2/c1-14(2,3)19-13(18)17-12-7-11(12)16-9-10-5-4-6-15-8-10/h10-12,15-16H,4-9H2,1-3H3,(H,17,18)
InChIKeyLMLVQVZQLMNNIK-UHFFFAOYSA-N
XLogP1.24
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-(piperidin-3-ylmethylamino)cyclohexyl]carbamate
CID 107241698
tert-butyl N-[2-(oxan-4-ylmethylamino)cyclopropyl]carbamate
CID 107238309
tert-butyl N-[2-(cyclopropylmethylamino)cycloheptyl]carbamate
CID 103082520
tert-butyl N-[2,2-difluoro-3-(piperidin-3-ylmethylamino)propyl]carbamate
CID 107257390
tert-butyl N-[2-(3,3-dimethylbutylamino)cyclopropyl]carbamate
CID 107237984
tert-butyl N-[(2S,3R)-2-piperidin-3-ylpyrrolidin-3-yl]carbamate
CID 82379344
tert-butyl N-[(4S)-4-hydroxypiperidin-3-yl]carbamate
CID 118297090
tert-butyl N-[(3R,4S)-4-hydroxypiperidin-3-yl]carbamate
CID 118178604
tert-butyl N-[(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 24728871
methyl (3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate
CID 96884692
tert-butyl N-[3-(cyclohexylmethylamino)cyclopentyl]carbamate
CID 79461727
2-methyl-N-(piperidin-3-ylmethyl)cyclohexan-1-amine
CID 80553082

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(piperidin-3-ylmethylamino)cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[2-(piperidin-3-ylmethylamino)cyclopropyl]carbamate (CID 107237689) is tert-butyl N-[2-(piperidin-3-ylmethylamino)cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(piperidin-3-ylmethylamino)cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(piperidin-3-ylmethylamino)cyclopropyl]carbamate is CC(C)(C)OC(=O)NC1CC1NCC1CCCNC1.
What is the InChIKey of tert-butyl N-[2-(piperidin-3-ylmethylamino)cyclopropyl]carbamate?
The InChIKey is LMLVQVZQLMNNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-14(2,3)19-13(18)17-12-7-11(12)16-9-10-5-4-6-15-8-10/h10-12,15-16H,4-9H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl N-[2-(piperidin-3-ylmethylamino)cyclopropyl]carbamate?
tert-butyl N-[2-(piperidin-3-ylmethylamino)cyclopropyl]carbamate has a molecular weight of 269.39 g/mol, XLogP of 1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(piperidin-3-ylmethylamino)cyclopropyl]carbamate is sourced from PubChem (CID 107237689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).