3-imidazol-1-yl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine

C15H28N4 — CID 106637470

IUPAC3-imidazol-1-yl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)N(CCCn1ccnc1)CC1CCCNC1
InChIInChI=1S/C15H28N4/c1-14(2)19(12-15-5-3-6-16-11-15)9-4-8-18-10-7-17-13-18/h7,10,13-16H,3-6,8-9,11-12H2,1-2H3
InChIKeyBLRSSOHDZMNELC-UHFFFAOYSA-N
MW264.42 g/mol
LogP1.98
Rot. Bonds7

About 3-imidazol-1-yl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine

3-imidazol-1-yl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine (PubChem CID 106637470) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-imidazol-1-yl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine
PubChem CID106637470
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name3-imidazol-1-yl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)N(CCCn1ccnc1)CC1CCCNC1
InChIInChI=1S/C15H28N4/c1-14(2)19(12-15-5-3-6-16-11-15)9-4-8-18-10-7-17-13-18/h7,10,13-16H,3-6,8-9,11-12H2,1-2H3
InChIKeyBLRSSOHDZMNELC-UHFFFAOYSA-N
XLogP1.98
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-imidazol-1-yl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropanamide
CID 106629196
N-ethyl-3-imidazol-1-yl-N-(piperidin-3-ylmethyl)propanamide
CID 106629654
4-imidazol-1-yl-N-(piperidin-3-ylmethyl)butan-1-amine
CID 80555259
2-imidazol-1-yl-N-(piperidin-3-ylmethyl)ethanamine
CID 80555335
N-(3-bromopropyl)-3-imidazol-1-yl-N-propan-2-ylpropan-1-amine
CID 80679358
N-(4-imidazol-1-ylbutyl)-2-piperidin-3-ylacetamide
CID 62691425
N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624258
3-[piperidin-3-ylmethyl(propan-2-yl)amino]propanenitrile
CID 80554495
2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine;hydrochloride
CID 119930509
N-(piperidin-3-ylmethyl)-N-[2-(trifluoromethoxy)ethyl]propan-2-amine
CID 106637776
1-[3-(2-pyrrolidin-3-ylethoxy)propyl]imidazole
CID 114796227
3-(2-imidazol-1-ylethoxy)piperidine
CID 106937689

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-imidazol-1-yl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine (CID 106637470) is 3-imidazol-1-yl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-imidazol-1-yl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-imidazol-1-yl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine is CC(C)N(CCCn1ccnc1)CC1CCCNC1.
What is the InChIKey of 3-imidazol-1-yl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine?
The InChIKey is BLRSSOHDZMNELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-14(2)19(12-15-5-3-6-16-11-15)9-4-8-18-10-7-17-13-18/h7,10,13-16H,3-6,8-9,11-12H2,1-2H3.
What are the key properties of 3-imidazol-1-yl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine?
3-imidazol-1-yl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine has a molecular weight of 264.42 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 106637470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).