tert-butyl N-[2-(piperidin-4-ylamino)hexyl]carbamate

C16H33N3O2 — CID 107256495

IUPACtert-butyl N-[2-(piperidin-4-ylamino)hexyl]carbamate
SMILESCCCCC(CNC(=O)OC(C)(C)C)NC1CCNCC1
InChIInChI=1S/C16H33N3O2/c1-5-6-7-14(19-13-8-10-17-11-9-13)12-18-15(20)21-16(2,3)4/h13-14,17,19H,5-12H2,1-4H3,(H,18,20)
InChIKeyLDNSRWAUYPZFQP-UHFFFAOYSA-N
MW299.46 g/mol
LogP2.41
Rot. Bonds7

About tert-butyl N-[2-(piperidin-4-ylamino)hexyl]carbamate

tert-butyl N-[2-(piperidin-4-ylamino)hexyl]carbamate (PubChem CID 107256495) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is tert-butyl N-[2-(piperidin-4-ylamino)hexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(piperidin-4-ylamino)hexyl]carbamate
PubChem CID107256495
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Nametert-butyl N-[2-(piperidin-4-ylamino)hexyl]carbamate
SMILESCCCCC(CNC(=O)OC(C)(C)C)NC1CCNCC1
InChIInChI=1S/C16H33N3O2/c1-5-6-7-14(19-13-8-10-17-11-9-13)12-18-15(20)21-16(2,3)4/h13-14,17,19H,5-12H2,1-4H3,(H,18,20)
InChIKeyLDNSRWAUYPZFQP-UHFFFAOYSA-N
XLogP2.41
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(azetidin-3-ylamino)hexyl]carbamate
CID 107256567
tert-butyl N-[2-(cycloheptylamino)hexyl]carbamate
CID 107256430
tert-butyl N-[2-(oxepan-4-ylamino)hexyl]carbamate
CID 103894993
tert-butyl N-[2-(azetidin-3-ylamino)pentyl]carbamate
CID 107253812
tert-butyl N-[2-(1-cyclopropylethylamino)hexyl]carbamate
CID 103788606
tert-butyl N-[2-[(4-methylcycloheptyl)amino]pentyl]carbamate
CID 107253589
tert-butyl N-[2-(butylamino)hexyl]carbamate
CID 107256535
tert-butyl N-[2-[(2,2-dimethylcyclohexyl)amino]hexyl]carbamate
CID 107256444
tert-butyl N-[2-[(4-ethylcycloheptyl)amino]pentyl]carbamate
CID 107253652
tert-butyl N-[2-(azepan-4-ylamino)-2-cyclopropylethyl]carbamate
CID 107251793
tert-butyl N-[2-(1-cyclobutylpropan-2-ylamino)hexyl]carbamate
CID 107256507
tert-butyl N-[2-(octan-4-ylamino)propyl]carbamate
CID 106022993

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(piperidin-4-ylamino)hexyl]carbamate?
The IUPAC name of tert-butyl N-[2-(piperidin-4-ylamino)hexyl]carbamate (CID 107256495) is tert-butyl N-[2-(piperidin-4-ylamino)hexyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(piperidin-4-ylamino)hexyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(piperidin-4-ylamino)hexyl]carbamate is CCCCC(CNC(=O)OC(C)(C)C)NC1CCNCC1.
What is the InChIKey of tert-butyl N-[2-(piperidin-4-ylamino)hexyl]carbamate?
The InChIKey is LDNSRWAUYPZFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-5-6-7-14(19-13-8-10-17-11-9-13)12-18-15(20)21-16(2,3)4/h13-14,17,19H,5-12H2,1-4H3,(H,18,20).
What are the key properties of tert-butyl N-[2-(piperidin-4-ylamino)hexyl]carbamate?
tert-butyl N-[2-(piperidin-4-ylamino)hexyl]carbamate has a molecular weight of 299.46 g/mol, XLogP of 2.41, 7 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-4-ylamino)hexyl]carbamate is sourced from PubChem (CID 107256495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).