(2R)-2-amino-1-[4-(cyclopropylmethoxy)piperidin-1-yl]propan-1-one;hydrochloride

C12H23ClN2O2 — CID 119337265

IUPAC(2R)-2-amino-1-[4-(cyclopropylmethoxy)piperidin-1-yl]propan-1-one;hydrochloride
SMILESC[C@@H](N)C(=O)N1CCC(OCC2CC2)CC1.Cl
InChIInChI=1S/C12H22N2O2.ClH/c1-9(13)12(15)14-6-4-11(5-7-14)16-8-10-2-3-10;/h9-11H,2-8,13H2,1H3;1H/t9-;/m1./s1
InChIKeyIBCDBCYPSRWVRJ-SBSPUUFOSA-N
MW262.78 g/mol
LogP1.17
Rot. Bonds4

About (2R)-2-amino-1-[4-(cyclopropylmethoxy)piperidin-1-yl]propan-1-one;hydrochloride

(2R)-2-amino-1-[4-(cyclopropylmethoxy)piperidin-1-yl]propan-1-one;hydrochloride (PubChem CID 119337265) has the molecular formula C12H23ClN2O2 and a molecular weight of 262.78 g/mol. Its IUPAC name is (2R)-2-amino-1-[4-(cyclopropylmethoxy)piperidin-1-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-1-[4-(cyclopropylmethoxy)piperidin-1-yl]propan-1-one;hydrochloride
PubChem CID119337265
Molecular FormulaC12H23ClN2O2
Molecular Weight262.78 g/mol
Exact Mass262.14
IUPAC Name(2R)-2-amino-1-[4-(cyclopropylmethoxy)piperidin-1-yl]propan-1-one;hydrochloride
SMILESC[C@@H](N)C(=O)N1CCC(OCC2CC2)CC1.Cl
InChIInChI=1S/C12H22N2O2.ClH/c1-9(13)12(15)14-6-4-11(5-7-14)16-8-10-2-3-10;/h9-11H,2-8,13H2,1H3;1H/t9-;/m1./s1
InChIKeyIBCDBCYPSRWVRJ-SBSPUUFOSA-N
XLogP1.17
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-1-[4-(cyclopropylmethoxy)piperidin-1-yl]propan-1-one
CID 119337266
(2S)-2-amino-1-(4-propoxyazepan-1-yl)propan-1-one;hydrochloride
CID 119321485
(2R)-2-amino-1-(4-aminopiperidin-1-yl)propan-1-one;hydrochloride
CID 131089631
(2S)-2-amino-1-(4-cyclopentyloxypiperidin-1-yl)propan-1-one
CID 119312938
[1-[(2S)-2-aminopropanoyl]piperidin-4-yl] acetate
CID 67663006
N-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]methyl]acetamide
CID 66567593
(2S)-2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one
CID 121230409
(2S)-2-amino-1-[4-(2-phenylethoxy)piperidin-1-yl]propan-1-one
CID 119299189
(2S)-2-amino-1-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-one
CID 61148515
(2S)-2-amino-1-[(3R)-3-methoxypyrrolidin-1-yl]propan-1-one
CID 66564457
(2S)-2-amino-1-(4-chloropiperidin-1-yl)propan-1-one
CID 66564392
2-amino-1-(4-methylpiperidin-1-yl)propan-1-one
CID 18715079

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[4-(cyclopropylmethoxy)piperidin-1-yl]propan-1-one;hydrochloride?
The IUPAC name of (2R)-2-amino-1-[4-(cyclopropylmethoxy)piperidin-1-yl]propan-1-one;hydrochloride (CID 119337265) is (2R)-2-amino-1-[4-(cyclopropylmethoxy)piperidin-1-yl]propan-1-one;hydrochloride.
What is the SMILES notation for (2R)-2-amino-1-[4-(cyclopropylmethoxy)piperidin-1-yl]propan-1-one;hydrochloride?
The canonical SMILES for (2R)-2-amino-1-[4-(cyclopropylmethoxy)piperidin-1-yl]propan-1-one;hydrochloride is C[C@@H](N)C(=O)N1CCC(OCC2CC2)CC1.Cl.
What is the InChIKey of (2R)-2-amino-1-[4-(cyclopropylmethoxy)piperidin-1-yl]propan-1-one;hydrochloride?
The InChIKey is IBCDBCYPSRWVRJ-SBSPUUFOSA-N. The full InChI is InChI=1S/C12H22N2O2.ClH/c1-9(13)12(15)14-6-4-11(5-7-14)16-8-10-2-3-10;/h9-11H,2-8,13H2,1H3;1H/t9-;/m1./s1.
What are the key properties of (2R)-2-amino-1-[4-(cyclopropylmethoxy)piperidin-1-yl]propan-1-one;hydrochloride?
(2R)-2-amino-1-[4-(cyclopropylmethoxy)piperidin-1-yl]propan-1-one;hydrochloride has a molecular weight of 262.78 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[4-(cyclopropylmethoxy)piperidin-1-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 119337265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).