(2S)-2-amino-1-[4-(ethylaminomethyl)piperidin-1-yl]-4-methylpentan-1-one

C14H29N3O — CID 122080878

IUPAC(2S)-2-amino-1-[4-(ethylaminomethyl)piperidin-1-yl]-4-methylpentan-1-one
SMILESCCNCC1CCN(C(=O)[C@@H](N)CC(C)C)CC1
InChIInChI=1S/C14H29N3O/c1-4-16-10-12-5-7-17(8-6-12)14(18)13(15)9-11(2)3/h11-13,16H,4-10,15H2,1-3H3/t13-/m0/s1
InChIKeyOEBIHXIXDSYUFA-ZDUSSCGKSA-N
MW255.41 g/mol
LogP1.21
Rot. Bonds6

About (2S)-2-amino-1-[4-(ethylaminomethyl)piperidin-1-yl]-4-methylpentan-1-one

(2S)-2-amino-1-[4-(ethylaminomethyl)piperidin-1-yl]-4-methylpentan-1-one (PubChem CID 122080878) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is (2S)-2-amino-1-[4-(ethylaminomethyl)piperidin-1-yl]-4-methylpentan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[4-(ethylaminomethyl)piperidin-1-yl]-4-methylpentan-1-one
PubChem CID122080878
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name(2S)-2-amino-1-[4-(ethylaminomethyl)piperidin-1-yl]-4-methylpentan-1-one
SMILESCCNCC1CCN(C(=O)[C@@H](N)CC(C)C)CC1
InChIInChI=1S/C14H29N3O/c1-4-16-10-12-5-7-17(8-6-12)14(18)13(15)9-11(2)3/h11-13,16H,4-10,15H2,1-3H3/t13-/m0/s1
InChIKeyOEBIHXIXDSYUFA-ZDUSSCGKSA-N
XLogP1.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-N-methylacetamide;hydrochloride
CID 119798033
(2S)-2-amino-1-(3-ethylpyrrolidin-1-yl)-4-methylpentan-1-one
CID 103812979
(2S)-2-amino-1-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-methylpentan-1-one;dihydrochloride
CID 119852066
2-amino-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-1-one;hydrochloride
CID 47003200
3-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]propanoic acid
CID 62215529
(2S)-2-amino-1-[3-(methoxymethyl)pyrrolidin-1-yl]-4-methylpentan-1-one
CID 64596670
2-ethoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 119647696
N-[1-(2-amino-4-methylpentanoyl)piperidin-4-yl]propanamide
CID 54872159
N-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2-methylpropanamide
CID 61164143
N-[1-(2-amino-4-methylpentanoyl)piperidin-4-yl]-2-methylpropanamide
CID 60947774
2-amino-4-methyl-1-pyrrolidin-1-ylpentan-1-one
CID 20500850
(2R)-2-amino-4-methyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)pentan-1-one
CID 93469877

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[4-(ethylaminomethyl)piperidin-1-yl]-4-methylpentan-1-one?
The IUPAC name of (2S)-2-amino-1-[4-(ethylaminomethyl)piperidin-1-yl]-4-methylpentan-1-one (CID 122080878) is (2S)-2-amino-1-[4-(ethylaminomethyl)piperidin-1-yl]-4-methylpentan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[4-(ethylaminomethyl)piperidin-1-yl]-4-methylpentan-1-one?
The canonical SMILES for (2S)-2-amino-1-[4-(ethylaminomethyl)piperidin-1-yl]-4-methylpentan-1-one is CCNCC1CCN(C(=O)[C@@H](N)CC(C)C)CC1.
What is the InChIKey of (2S)-2-amino-1-[4-(ethylaminomethyl)piperidin-1-yl]-4-methylpentan-1-one?
The InChIKey is OEBIHXIXDSYUFA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H29N3O/c1-4-16-10-12-5-7-17(8-6-12)14(18)13(15)9-11(2)3/h11-13,16H,4-10,15H2,1-3H3/t13-/m0/s1.
What are the key properties of (2S)-2-amino-1-[4-(ethylaminomethyl)piperidin-1-yl]-4-methylpentan-1-one?
(2S)-2-amino-1-[4-(ethylaminomethyl)piperidin-1-yl]-4-methylpentan-1-one has a molecular weight of 255.41 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[4-(ethylaminomethyl)piperidin-1-yl]-4-methylpentan-1-one is sourced from PubChem (CID 122080878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).