N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3-benzoxazol-2-amine

C16H21N3O — CID 56815552

IUPACN-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3-benzoxazol-2-amine
SMILESc1ccc2oc(NC3CCN(CC4CC4)CC3)nc2c1
InChIInChI=1S/C16H21N3O/c1-2-4-15-14(3-1)18-16(20-15)17-13-7-9-19(10-8-13)11-12-5-6-12/h1-4,12-13H,5-11H2,(H,17,18)
InChIKeyJZMBBTPGMPGGHN-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.11
Rot. Bonds4

About N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3-benzoxazol-2-amine

N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3-benzoxazol-2-amine (PubChem CID 56815552) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3-benzoxazol-2-amine
PubChem CID56815552
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3-benzoxazol-2-amine
SMILESc1ccc2oc(NC3CCN(CC4CC4)CC3)nc2c1
InChIInChI=1S/C16H21N3O/c1-2-4-15-14(3-1)18-16(20-15)17-13-7-9-19(10-8-13)11-12-5-6-12/h1-4,12-13H,5-11H2,(H,17,18)
InChIKeyJZMBBTPGMPGGHN-UHFFFAOYSA-N
XLogP3.11
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3-benzoxazol-2-amine?
The IUPAC name of N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3-benzoxazol-2-amine (CID 56815552) is N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3-benzoxazol-2-amine is c1ccc2oc(NC3CCN(CC4CC4)CC3)nc2c1.
What is the InChIKey of N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3-benzoxazol-2-amine?
The InChIKey is JZMBBTPGMPGGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-4-15-14(3-1)18-16(20-15)17-13-7-9-19(10-8-13)11-12-5-6-12/h1-4,12-13H,5-11H2,(H,17,18).
What are the key properties of N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3-benzoxazol-2-amine?
N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3-benzoxazol-2-amine has a molecular weight of 271.36 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 56815552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).