(2S)-1-[(3S)-morpholin-3-yl]-4-propylheptan-2-ol

C14H29NO2 — CID 10955779

IUPAC(2S)-1-[(3S)-morpholin-3-yl]-4-propylheptan-2-ol
SMILESCCCC(CCC)C[C@H](O)C[C@H]1COCCN1
InChIInChI=1S/C14H29NO2/c1-3-5-12(6-4-2)9-14(16)10-13-11-17-8-7-15-13/h12-16H,3-11H2,1-2H3/t13-,14-/m0/s1
InChIKeyCLNWQWHACHJWRV-KBPBESRZSA-N
MW243.39 g/mol
LogP2.33
Rot. Bonds8

About (2S)-1-[(3S)-morpholin-3-yl]-4-propylheptan-2-ol

(2S)-1-[(3S)-morpholin-3-yl]-4-propylheptan-2-ol (PubChem CID 10955779) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is (2S)-1-[(3S)-morpholin-3-yl]-4-propylheptan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(3S)-morpholin-3-yl]-4-propylheptan-2-ol
PubChem CID10955779
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name(2S)-1-[(3S)-morpholin-3-yl]-4-propylheptan-2-ol
SMILESCCCC(CCC)C[C@H](O)C[C@H]1COCCN1
InChIInChI=1S/C14H29NO2/c1-3-5-12(6-4-2)9-14(16)10-13-11-17-8-7-15-13/h12-16H,3-11H2,1-2H3/t13-,14-/m0/s1
InChIKeyCLNWQWHACHJWRV-KBPBESRZSA-N
XLogP2.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methylpropyl)morpholine
CID 20811826
N-methyl-1-morpholin-3-ylbutan-2-amine
CID 116956752
(2R)-2-(1-morpholin-3-ylpropan-2-ylamino)butan-1-ol
CID 104868849
2-methyl-3-morpholin-3-ylpropanoic acid;hydrochloride
CID 90043742
3-ethyl-1-(1-morpholin-3-ylpropan-2-ylamino)pentan-2-ol
CID 106284470
3-[(Z)-4-ethyl-2-methyloct-2-enyl]morpholine
CID 113462306
1-pyrrolidin-2-ylpentan-2-ol
CID 90756268
N,N-dimethyl-2-morpholin-3-yl-1-(oxan-4-yl)ethanamine
CID 116911069
3-(2,3-dimethylhex-2-enyl)morpholine
CID 107889216
2-morpholin-3-yl-N-octan-4-ylacetamide
CID 114138382
3-[2-(azetidin-1-yl)propyl]morpholine
CID 130548634
3-[(3-propylazetidin-1-yl)methyl]morpholine
CID 103549583

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(3S)-morpholin-3-yl]-4-propylheptan-2-ol?
The IUPAC name of (2S)-1-[(3S)-morpholin-3-yl]-4-propylheptan-2-ol (CID 10955779) is (2S)-1-[(3S)-morpholin-3-yl]-4-propylheptan-2-ol.
What is the SMILES notation for (2S)-1-[(3S)-morpholin-3-yl]-4-propylheptan-2-ol?
The canonical SMILES for (2S)-1-[(3S)-morpholin-3-yl]-4-propylheptan-2-ol is CCCC(CCC)C[C@H](O)C[C@H]1COCCN1.
What is the InChIKey of (2S)-1-[(3S)-morpholin-3-yl]-4-propylheptan-2-ol?
The InChIKey is CLNWQWHACHJWRV-KBPBESRZSA-N. The full InChI is InChI=1S/C14H29NO2/c1-3-5-12(6-4-2)9-14(16)10-13-11-17-8-7-15-13/h12-16H,3-11H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of (2S)-1-[(3S)-morpholin-3-yl]-4-propylheptan-2-ol?
(2S)-1-[(3S)-morpholin-3-yl]-4-propylheptan-2-ol has a molecular weight of 243.39 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(3S)-morpholin-3-yl]-4-propylheptan-2-ol is sourced from PubChem (CID 10955779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).