4-[4-[(3S)-4-methylmorpholin-3-yl]cyclohexyl]piperidin-3-amine

C16H31N3O — CID 140800757

IUPAC4-[4-[(3S)-4-methylmorpholin-3-yl]cyclohexyl]piperidin-3-amine
SMILESCN1CCOC[C@@H]1C1CCC(C2CCNCC2N)CC1
InChIInChI=1S/C16H31N3O/c1-19-8-9-20-11-16(19)13-4-2-12(3-5-13)14-6-7-18-10-15(14)17/h12-16,18H,2-11,17H2,1H3/t12?,13?,14?,15?,16-/m1/s1
InChIKeyYIBATYPTBFFMGT-QIWHZVNUSA-N
MW281.44 g/mol
LogP1.06
Rot. Bonds2

About 4-[4-[(3S)-4-methylmorpholin-3-yl]cyclohexyl]piperidin-3-amine

4-[4-[(3S)-4-methylmorpholin-3-yl]cyclohexyl]piperidin-3-amine (PubChem CID 140800757) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 4-[4-[(3S)-4-methylmorpholin-3-yl]cyclohexyl]piperidin-3-amine.

Molecular Properties

Compound Name4-[4-[(3S)-4-methylmorpholin-3-yl]cyclohexyl]piperidin-3-amine
PubChem CID140800757
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name4-[4-[(3S)-4-methylmorpholin-3-yl]cyclohexyl]piperidin-3-amine
SMILESCN1CCOC[C@@H]1C1CCC(C2CCNCC2N)CC1
InChIInChI=1S/C16H31N3O/c1-19-8-9-20-11-16(19)13-4-2-12(3-5-13)14-6-7-18-10-15(14)17/h12-16,18H,2-11,17H2,1H3/t12?,13?,14?,15?,16-/m1/s1
InChIKeyYIBATYPTBFFMGT-QIWHZVNUSA-N
XLogP1.06
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5aS,9aS)-1-methyl-3,5,5a,6,7,8,9,9a-octahydro-2H-pyrido[4,3-e][1,4]oxazepine
CID 129493577
1-methyl-3,5,5a,6,7,8,9,9a-octahydro-2H-pyrido[3,4-e][1,4]oxazepine
CID 130886927
(3R)-4-cyclopropylpiperidin-3-amine;dihydrochloride
CID 76844694
4-cyclopentylpiperidin-3-amine
CID 84765487
4-(2-methylpyrazolidin-3-yl)piperidin-3-amine
CID 129134746
5-cyclopropylazepan-4-amine
CID 84763542
4-(diazinan-4-yl)piperidin-3-amine
CID 140644145
(3aR,7aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridine
CID 82418150
3-azabicyclo[4.2.0]octan-7-amine
CID 21475401
(4aS,7R,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-7-amine;hydrochloride
CID 155905230
4-(4-methylmorpholin-3-yl)oxolan-2-one
CID 11608048
azane;4-cyclopropyloxan-3-amine;dihydrochloride
CID 67359568

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3S)-4-methylmorpholin-3-yl]cyclohexyl]piperidin-3-amine?
The IUPAC name of 4-[4-[(3S)-4-methylmorpholin-3-yl]cyclohexyl]piperidin-3-amine (CID 140800757) is 4-[4-[(3S)-4-methylmorpholin-3-yl]cyclohexyl]piperidin-3-amine.
What is the SMILES notation for 4-[4-[(3S)-4-methylmorpholin-3-yl]cyclohexyl]piperidin-3-amine?
The canonical SMILES for 4-[4-[(3S)-4-methylmorpholin-3-yl]cyclohexyl]piperidin-3-amine is CN1CCOC[C@@H]1C1CCC(C2CCNCC2N)CC1.
What is the InChIKey of 4-[4-[(3S)-4-methylmorpholin-3-yl]cyclohexyl]piperidin-3-amine?
The InChIKey is YIBATYPTBFFMGT-QIWHZVNUSA-N. The full InChI is InChI=1S/C16H31N3O/c1-19-8-9-20-11-16(19)13-4-2-12(3-5-13)14-6-7-18-10-15(14)17/h12-16,18H,2-11,17H2,1H3/t12?,13?,14?,15?,16-/m1/s1.
What are the key properties of 4-[4-[(3S)-4-methylmorpholin-3-yl]cyclohexyl]piperidin-3-amine?
4-[4-[(3S)-4-methylmorpholin-3-yl]cyclohexyl]piperidin-3-amine has a molecular weight of 281.44 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3S)-4-methylmorpholin-3-yl]cyclohexyl]piperidin-3-amine is sourced from PubChem (CID 140800757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).