N-[[1-(2-chloroprop-2-enyl)piperidin-3-yl]methyl]propan-2-amine

C12H23ClN2 — CID 63241265

IUPACN-[[1-(2-chloroprop-2-enyl)piperidin-3-yl]methyl]propan-2-amine
SMILESC=C(Cl)CN1CCCC(CNC(C)C)C1
InChIInChI=1S/C12H23ClN2/c1-10(2)14-7-12-5-4-6-15(9-12)8-11(3)13/h10,12,14H,3-9H2,1-2H3
InChIKeyHNBQEBTYEJREHB-UHFFFAOYSA-N
MW230.78 g/mol
LogP2.45
Rot. Bonds5

About N-[[1-(2-chloroprop-2-enyl)piperidin-3-yl]methyl]propan-2-amine

N-[[1-(2-chloroprop-2-enyl)piperidin-3-yl]methyl]propan-2-amine (PubChem CID 63241265) has the molecular formula C12H23ClN2 and a molecular weight of 230.78 g/mol. Its IUPAC name is N-[[1-(2-chloroprop-2-enyl)piperidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-chloroprop-2-enyl)piperidin-3-yl]methyl]propan-2-amine
PubChem CID63241265
Molecular FormulaC12H23ClN2
Molecular Weight230.78 g/mol
Exact Mass230.15
IUPAC NameN-[[1-(2-chloroprop-2-enyl)piperidin-3-yl]methyl]propan-2-amine
SMILESC=C(Cl)CN1CCCC(CNC(C)C)C1
InChIInChI=1S/C12H23ClN2/c1-10(2)14-7-12-5-4-6-15(9-12)8-11(3)13/h10,12,14H,3-9H2,1-2H3
InChIKeyHNBQEBTYEJREHB-UHFFFAOYSA-N
XLogP2.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.78
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(2-methylidenebutyl)piperidin-3-yl]methyl]propan-2-amine
CID 66043827
N-[[(3R)-1-(2-chloroprop-2-enyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 95291109
2-methyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-2-ol
CID 63241892
N-[[1-(cyclopentylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 62580792
N-(2-methylpropyl)-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
CID 55173495
tert-butyl 2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetate
CID 63241433
N-(oxan-4-yl)-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
CID 63241627
N-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]propan-2-amine
CID 62580790
N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]methyl]propan-2-amine
CID 62581880
N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine
CID 82891574
2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 63241706
N-(2-cyanoethyl)-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
CID 63241526

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-chloroprop-2-enyl)piperidin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2-chloroprop-2-enyl)piperidin-3-yl]methyl]propan-2-amine (CID 63241265) is N-[[1-(2-chloroprop-2-enyl)piperidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2-chloroprop-2-enyl)piperidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2-chloroprop-2-enyl)piperidin-3-yl]methyl]propan-2-amine is C=C(Cl)CN1CCCC(CNC(C)C)C1.
What is the InChIKey of N-[[1-(2-chloroprop-2-enyl)piperidin-3-yl]methyl]propan-2-amine?
The InChIKey is HNBQEBTYEJREHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23ClN2/c1-10(2)14-7-12-5-4-6-15(9-12)8-11(3)13/h10,12,14H,3-9H2,1-2H3.
What are the key properties of N-[[1-(2-chloroprop-2-enyl)piperidin-3-yl]methyl]propan-2-amine?
N-[[1-(2-chloroprop-2-enyl)piperidin-3-yl]methyl]propan-2-amine has a molecular weight of 230.78 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-chloroprop-2-enyl)piperidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 63241265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).